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162686-53-5 | 4-Piperidinecarbonitrile, 4-(hydroxymethyl)-1-(phenylmethyl)-
CAS No: 162686-53-5 Catalog No: AG001TB9 MDL No:MFCD12406111
Product Description
Catalog Number:
AG001TB9
Chemical Name:
4-Piperidinecarbonitrile, 4-(hydroxymethyl)-1-(phenylmethyl)-
CAS Number:
162686-53-5
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD12406111
IUPAC Name:
1-benzyl-4-(hydroxymethyl)piperidine-4-carbonitrile
InChI:
InChI=1S/C14H18N2O/c15-11-14(12-17)6-8-16(9-7-14)10-13-4-2-1-3-5-13/h1-5,17H,6-10,12H2
InChI Key:
AXPSSIFICGGLAI-UHFFFAOYSA-N
SMILES:
OCC1(CCN(CC1)Cc1ccccc1)C#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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