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115909-91-6 | 1-Piperidinecarboxylic acid, 4-(2-hydroxyethyl)-, phenylmethyl ester
CAS No: 115909-91-6 Catalog No: AG000H3S MDL No:MFCD04114976
Product Description
Catalog Number:
AG000H3S
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-hydroxyethyl)-, phenylmethyl ester
CAS Number:
115909-91-6
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
MDL Number:
MFCD04114976
IUPAC Name:
benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H21NO3/c17-11-8-13-6-9-16(10-7-13)15(18)19-12-14-4-2-1-3-5-14/h1-5,13,17H,6-12H2
InChI Key:
SYXSMTCXQUGEIJ-UHFFFAOYSA-N
SMILES:
OCCC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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