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133748-89-7 | [1-(4-Chloro-benzyl)-piperidin-3-yl]-methanol
CAS No: 133748-89-7 Catalog No: AG01FAAN MDL No:
Product Description
Catalog Number:
AG01FAAN
Chemical Name:
[1-(4-Chloro-benzyl)-piperidin-3-yl]-methanol
CAS Number:
133748-89-7
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
IUPAC Name:
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanol
InChI:
InChI=1S/C13H18ClNO/c14-13-5-3-11(4-6-13)8-15-7-1-2-12(9-15)10-16/h3-6,12,16H,1-2,7-10H2
InChI Key:
LIZSEDKZNXDJBH-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)Cc1ccc(cc1)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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