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1023298-99-8 | Carbamic acid, N-[(3S)-1-(3-amino-4-pyridinyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1023298-99-8 Catalog No: AG00076P MDL No:
Product Description
Catalog Number:
AG00076P
Chemical Name:
Carbamic acid, N-[(3S)-1-(3-amino-4-pyridinyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1023298-99-8
Molecular Formula:
C15H24N4O2
Molecular Weight:
292.3767
IUPAC Name:
tert-butyl N-[(3S)-1-(3-aminopyridin-4-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-11-5-4-8-19(10-11)13-6-7-17-9-12(13)16/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,18,20)/t11-/m0/s1
InChI Key:
BDLWVTWKNLOFBM-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCCN(C1)c1ccncc1N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.19g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.383g/mol
Monoisotopic Mass:
292.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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