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101012-79-7 | Piperidine, 1-(3,3,5-trimethyl-1-cyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethyl-1-cyclohexen-1-yl)-4-piperidinyl]propyl]- (9CI)
CAS No: 101012-79-7 Catalog No: AG0003JF MDL No:
Product Description
Catalog Number:
AG0003JF
Chemical Name:
Piperidine, 1-(3,3,5-trimethyl-1-cyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethyl-1-cyclohexen-1-yl)-4-piperidinyl]propyl]- (9CI)
CAS Number:
101012-79-7
Molecular Formula:
C31H54N2
Molecular Weight:
454.7739
IUPAC Name:
1-(3,3,5-trimethylcyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethylcyclohexen-1-yl)piperidin-4-yl]propyl]piperidine
InChI:
InChI=1S/C31H54N2/c1-24-18-28(22-30(3,4)20-24)32-14-10-26(11-15-32)8-7-9-27-12-16-33(17-13-27)29-19-25(2)21-31(5,6)23-29/h18,23-27H,7-17,19-22H2,1-6H3
InChI Key:
VKJSOXIMYQSXHJ-UHFFFAOYSA-N
SMILES:
CC1C=C(CC(C1)(C)C)N1CCC(CC1)CCCC1CCN(CC1)C1=CC(CC(C1)C)(C)C
EC Number:
309-778-9
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.429g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.787g/mol
Monoisotopic Mass:
454.429g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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