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885270-29-1 | 3-Piperidinecarboxylicacid, 3-amino-1-(phenylmethyl)-, methyl ester
CAS No: 885270-29-1 Catalog No: AG00480T MDL No:MFCD04114484
Product Description
Catalog Number:
AG00480T
Chemical Name:
3-Piperidinecarboxylicacid, 3-amino-1-(phenylmethyl)-, methyl ester
CAS Number:
885270-29-1
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD04114484
IUPAC Name:
methyl 3-amino-1-benzylpiperidine-3-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-18-13(17)14(15)8-5-9-16(11-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,15H2,1H3
InChI Key:
RVOVJXXETIQTGF-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)CCCN(C1)Cc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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