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1260811-09-3 | Carbamic acid, N-[[1-(3-formylphenyl)-3-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1260811-09-3 Catalog No: AG000RCS MDL No:
Product Description
Catalog Number:
AG000RCS
Chemical Name:
Carbamic acid, N-[[1-(3-formylphenyl)-3-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1260811-09-3
Molecular Formula:
C18H26N2O3
Molecular Weight:
318.4106
IUPAC Name:
tert-butyl N-[[1-(3-formylphenyl)piperidin-3-yl]methyl]carbamate
InChI:
InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)19-11-15-7-5-9-20(12-15)16-8-4-6-14(10-16)13-21/h4,6,8,10,13,15H,5,7,9,11-12H2,1-3H3,(H,19,22)
InChI Key:
BBPYPVDCLCMNJM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N1CCCC(C1)CNC(=O)OC(C)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.417g/mol
Monoisotopic Mass:
318.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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