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1260842-64-5 | Carbamic acid, N-[1-[2-(hydroxymethyl)phenyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1260842-64-5 Catalog No: AG000RFS MDL No:
Product Description
Catalog Number:
AG000RFS
Chemical Name:
Carbamic acid, N-[1-[2-(hydroxymethyl)phenyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1260842-64-5
Molecular Formula:
C17H26N2O3
Molecular Weight:
306.3999
IUPAC Name:
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate
InChI:
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)18-14-8-6-10-19(11-14)15-9-5-4-7-13(15)12-20/h4-5,7,9,14,20H,6,8,10-12H2,1-3H3,(H,18,21)
InChI Key:
IKZUTSYDXORNEY-UHFFFAOYSA-N
SMILES:
OCc1ccccc1N1CCCC(C1)NC(=O)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.406g/mol
Monoisotopic Mass:
306.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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