(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol

C18H21FN2O — CID 14280813

IUPAC(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21FN2O/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14/h1-6,9-10,16,18,22H,7-8,11-13H2
InChIKeyWAJQYBXXZAWISL-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.17
Rot. Bonds4

About (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol

(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol (PubChem CID 14280813) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
PubChem CID14280813
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21FN2O/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14/h1-6,9-10,16,18,22H,7-8,11-13H2
InChIKeyWAJQYBXXZAWISL-UHFFFAOYSA-N
XLogP3.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol (CID 14280813) is (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol is OC(c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is WAJQYBXXZAWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14/h1-6,9-10,16,18,22H,7-8,11-13H2.
What are the key properties of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 300.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 14280813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).