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415714-07-7 | [1-(3-Chloro-benzyl)-piperidin-3-yl]-methanol
CAS No: 415714-07-7 Catalog No: AG01FAHQ MDL No:
Product Description
Catalog Number:
AG01FAHQ
Chemical Name:
[1-(3-Chloro-benzyl)-piperidin-3-yl]-methanol
CAS Number:
415714-07-7
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
IUPAC Name:
[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
InChI:
InChI=1S/C13H18ClNO/c14-13-5-1-3-11(7-13)8-15-6-2-4-12(9-15)10-16/h1,3,5,7,12,16H,2,4,6,8-10H2
InChI Key:
BKJRNNAFSPKFLS-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)Cc1cccc(c1)Cl
Properties
Complexity:
212
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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