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158144-85-5 | 1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-phenyl-, 1,1-dimethylethyl ester
CAS No: 158144-85-5 Catalog No: AG001Q0V MDL No:MFCD11044987
Product Description
Catalog Number:
AG001Q0V
Chemical Name:
1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-phenyl-, 1,1-dimethylethyl ester
CAS Number:
158144-85-5
Molecular Formula:
C17H25NO3
Molecular Weight:
291.3853
MDL Number:
MFCD11044987
IUPAC Name:
tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/C17H25NO3/c1-16(2,3)21-15(20)18-11-9-17(13-19,10-12-18)14-7-5-4-6-8-14/h4-8,19H,9-13H2,1-3H3
InChI Key:
RSJVNHQETHAMJH-UHFFFAOYSA-N
SMILES:
OCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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