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24578-00-5 | 4-Piperidinol, 1,2,2-trimethyl-6-phenyl-, trans- (8CI,9CI)
CAS No: 24578-00-5 Catalog No: AG002ON1 MDL No:
Product Description
Catalog Number:
AG002ON1
Chemical Name:
4-Piperidinol, 1,2,2-trimethyl-6-phenyl-, trans- (8CI,9CI)
CAS Number:
24578-00-5
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
(4S,6R)-1,2,2-trimethyl-6-phenylpiperidin-4-ol
InChI:
InChI=1S/C14H21NO/c1-14(2)10-12(16)9-13(15(14)3)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13+/m0/s1
InChI Key:
XLRPVXMIMVOTOE-QWHCGFSZSA-N
SMILES:
O[C@H]1C[C@H](c2ccccc2)N(C(C1)(C)C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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