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146798-37-0 | Benzonitrile, 3-[(3S)-1-(cyclopropylmethyl)-3-piperidinyl]-
CAS No: 146798-37-0 Catalog No: AG001ECB MDL No:
Product Description
Catalog Number:
AG001ECB
Chemical Name:
Benzonitrile, 3-[(3S)-1-(cyclopropylmethyl)-3-piperidinyl]-
CAS Number:
146798-37-0
Molecular Formula:
C16H20N2
Molecular Weight:
240.3434
IUPAC Name:
3-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]benzonitrile
InChI:
InChI=1S/C16H20N2/c17-10-14-3-1-4-15(9-14)16-5-2-8-18(12-16)11-13-6-7-13/h1,3-4,9,13,16H,2,5-8,11-12H2/t16-/m1/s1
InChI Key:
RWFSSGIYTQCWMB-MRXNPFEDSA-N
SMILES:
N#Cc1cccc(c1)[C@@H]1CCCN(C1)CC1CC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
240.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.35g/mol
Monoisotopic Mass:
240.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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