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1241009-48-2 | 4-Piperidinemethanol, 1-[(3-chlorophenyl)methyl]-
CAS No: 1241009-48-2 Catalog No: AG000LKJ MDL No:MFCD16153516
Product Description
Catalog Number:
AG000LKJ
Chemical Name:
4-Piperidinemethanol, 1-[(3-chlorophenyl)methyl]-
CAS Number:
1241009-48-2
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
MDL Number:
MFCD16153516
IUPAC Name:
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
InChI:
InChI=1S/C13H18ClNO/c14-13-3-1-2-12(8-13)9-15-6-4-11(10-16)5-7-15/h1-3,8,11,16H,4-7,9-10H2
InChI Key:
QRHUJQBRDLNGEC-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)Cc1cccc(c1)Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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