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331978-27-9 | 3-Piperidinemethanol,1-(3-pyridinylmethyl)-
CAS No: 331978-27-9 Catalog No: AG00I6GD MDL No:MFCD00978389
Product Description
Catalog Number:
AG00I6GD
Chemical Name:
3-Piperidinemethanol,1-(3-pyridinylmethyl)-
CAS Number:
331978-27-9
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD00978389
IUPAC Name:
[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanol
InChI:
InChI=1S/C12H18N2O/c15-10-12-4-2-6-14(9-12)8-11-3-1-5-13-7-11/h1,3,5,7,12,15H,2,4,6,8-10H2
InChI Key:
FNXJMDSDUPCAOP-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)Cc1cccnc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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