[4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol

C19H23ClN2O — CID 25289841

IUPAC[4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccc(Cl)cc2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23ClN2O/c20-18-5-3-16(4-6-18)12-19(15-23)7-10-22(11-8-19)14-17-2-1-9-21-13-17/h1-6,9,13,23H,7-8,10-12,14-15H2
InChIKeyOZSWFCSAEYSBMJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.55
Rot. Bonds5

About [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol

[4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol (PubChem CID 25289841) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
PubChem CID25289841
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name[4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccc(Cl)cc2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23ClN2O/c20-18-5-3-16(4-6-18)12-19(15-23)7-10-22(11-8-19)14-17-2-1-9-21-13-17/h1-6,9,13,23H,7-8,10-12,14-15H2
InChIKeyOZSWFCSAEYSBMJ-UHFFFAOYSA-N
XLogP3.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cycliramine
CID 22017
2-[1-(2-Phenylethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 16189129
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-3-yl-pentanenitrile
CID 10809142
(Z)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 11849268
(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 11849816
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
3-[1-(3-Chlorobenzyl)-2-piperidinyl]pyridine
CID 2857375
13-[1-(13-Pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecan-1-ol iodide
CID 10842120
(E)-1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 11739823
[4-Benzyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 16188295
cis-[3-(4-Chloro-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine;C2H4O4
CID 12717114
(E)-7-phenyl-7-(3-pyridyl)-6-hepten-1-ol
CID 13417327

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol (CID 25289841) is [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol is OCC1(Cc2ccc(Cl)cc2)CCN(Cc2cccnc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is OZSWFCSAEYSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-18-5-3-16(4-6-18)12-19(15-23)7-10-22(11-8-19)14-17-2-1-9-21-13-17/h1-6,9,13,23H,7-8,10-12,14-15H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol?
[4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 330.86 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 25289841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).