[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C18H20ClFN2O — CID 53193354

IUPAC[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)C1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C18H20ClFN2O/c19-16-11-15(20)5-4-14(16)12-22-9-6-13(7-10-22)18(23)17-3-1-2-8-21-17/h1-5,8,11,13,18,23H,6-7,9-10,12H2
InChIKeyQCNWMLSGTOXCFO-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.82
Rot. Bonds4

About [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 53193354) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID53193354
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)C1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C18H20ClFN2O/c19-16-11-15(20)5-4-14(16)12-22-9-6-13(7-10-22)18(23)17-3-1-2-8-21-17/h1-5,8,11,13,18,23H,6-7,9-10,12H2
InChIKeyQCNWMLSGTOXCFO-UHFFFAOYSA-N
XLogP3.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 53193354) is [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is OC(c1ccccn1)C1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is QCNWMLSGTOXCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c19-16-11-15(20)5-4-14(16)12-22-9-6-13(7-10-22)18(23)17-3-1-2-8-21-17/h1-5,8,11,13,18,23H,6-7,9-10,12H2.
What are the key properties of [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 334.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 53193354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).