[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone

C24H23FN2O — CID 95808977

IUPAC[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1
InChIInChI=1S/C24H23FN2O/c25-21-9-4-6-18(16-21)17-22-10-5-11-23(26-22)19-12-14-27(15-13-19)24(28)20-7-2-1-3-8-20/h1-11,16,19H,12-15,17H2
InChIKeyRSGVEHYCGPJWAM-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.83
Rot. Bonds4

About [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone

[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone (PubChem CID 95808977) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
PubChem CID95808977
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1
InChIInChI=1S/C24H23FN2O/c25-21-9-4-6-18(16-21)17-22-10-5-11-23(26-22)19-12-14-27(15-13-19)24(28)20-7-2-1-3-8-20/h1-11,16,19H,12-15,17H2
InChIKeyRSGVEHYCGPJWAM-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone (CID 95808977) is [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1.
What is the InChIKey of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is RSGVEHYCGPJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-21-9-4-6-18(16-21)17-22-10-5-11-23(26-22)19-12-14-27(15-13-19)24(28)20-7-2-1-3-8-20/h1-11,16,19H,12-15,17H2.
What are the key properties of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 374.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95808977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).