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870703-80-3 | 4-(Boc-amino)-1-[(2-hydroxyphenyl)(thiophen-2-yl)methyl]piperidine
CAS No: 870703-80-3 Catalog No: AG004N9K MDL No:
Product Description
Catalog Number:
AG004N9K
Chemical Name:
4-(Boc-amino)-1-[(2-hydroxyphenyl)(thiophen-2-yl)methyl]piperidine
CAS Number:
870703-80-3
Molecular Formula:
C21H28N2O3S
Molecular Weight:
388.5236
IUPAC Name:
tert-butyl N-[1-[(2-hydroxyphenyl)-thiophen-2-ylmethyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C21H28N2O3S/c1-21(2,3)26-20(25)22-15-10-12-23(13-11-15)19(18-9-6-14-27-18)16-7-4-5-8-17(16)24/h4-9,14-15,19,24H,10-13H2,1-3H3,(H,22,25)
InChI Key:
UUMHTMZBVBXNOV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)C(c1ccccc1O)c1cccs1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.182g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.526g/mol
Monoisotopic Mass:
388.182g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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