[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone

C24H23FN2O — CID 19863493

IUPAC[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H23FN2O/c25-22-8-6-19(7-9-22)23-16-18(10-13-26-23)17-27-14-11-21(12-15-27)24(28)20-4-2-1-3-5-20/h1-10,13,16,21H,11-12,14-15,17H2
InChIKeyPELBCXNZRPDXDN-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.98
Rot. Bonds5

About [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone

[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone (PubChem CID 19863493) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone
PubChem CID19863493
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H23FN2O/c25-22-8-6-19(7-9-22)23-16-18(10-13-26-23)17-27-14-11-21(12-15-27)24(28)20-4-2-1-3-5-20/h1-10,13,16,21H,11-12,14-15,17H2
InChIKeyPELBCXNZRPDXDN-UHFFFAOYSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone (CID 19863493) is [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is PELBCXNZRPDXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-22-8-6-19(7-9-22)23-16-18(10-13-26-23)17-27-14-11-21(12-15-27)24(28)20-4-2-1-3-5-20/h1-10,13,16,21H,11-12,14-15,17H2.
What are the key properties of [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone?
[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 374.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 19863493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).