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81262-67-1 | 2-Piperidinecarbonitrile, 1-(1-phenylcyclohexyl)-
CAS No: 81262-67-1 Catalog No: AG005EYI MDL No:
Product Description
Catalog Number:
AG005EYI
Chemical Name:
2-Piperidinecarbonitrile, 1-(1-phenylcyclohexyl)-
CAS Number:
81262-67-1
Molecular Formula:
C18H24N2
Molecular Weight:
268.3966
IUPAC Name:
1-(1-phenylcyclohexyl)piperidine-2-carbonitrile
InChI:
InChI=1S/C18H24N2/c19-15-17-11-5-8-14-20(17)18(12-6-2-7-13-18)16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-14H2
InChI Key:
QZXRZSZXSBILQR-UHFFFAOYSA-N
SMILES:
N#CC1CCCCN1C1(CCCCC1)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.194g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.404g/mol
Monoisotopic Mass:
268.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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