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138163-08-3 | 1-Piperidinecarboxylic acid, 4-formyl-, phenylmethyl ester
CAS No: 138163-08-3 Catalog No: AG00183H MDL No:MFCD01317806
Product Description
Catalog Number:
AG00183H
Chemical Name:
1-Piperidinecarboxylic acid, 4-formyl-, phenylmethyl ester
CAS Number:
138163-08-3
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD01317806
IUPAC Name:
benzyl 4-formylpiperidine-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChI Key:
ZJQMLJFHCKTCSF-UHFFFAOYSA-N
SMILES:
O=CC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Muscarinic receptor subtypes and signalling involved in the attenuation of isoprenaline-induced rat urinary bladder relaxation. | Naunyn-Schmiedeberg's archives of pharmacology 20111201 |
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