1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C25H25FN2O — CID 95809941

IUPAC1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C25H25FN2O/c26-22-11-9-20(10-12-22)18-25(29)28-15-13-21(14-16-28)24-8-4-7-23(27-24)17-19-5-2-1-3-6-19/h1-12,21H,13-18H2
InChIKeyVHQXIKFTEPCVQS-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 95809941) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID95809941
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C25H25FN2O/c26-22-11-9-20(10-12-22)18-25(29)28-15-13-21(14-16-28)24-8-4-7-23(27-24)17-19-5-2-1-3-6-19/h1-12,21H,13-18H2
InChIKeyVHQXIKFTEPCVQS-UHFFFAOYSA-N
XLogP4.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110085536
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide
CID 110150048
2-[(4-fluorophenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809288
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810474
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 95809941) is 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is VHQXIKFTEPCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c26-22-11-9-20(10-12-22)18-25(29)28-15-13-21(14-16-28)24-8-4-7-23(27-24)17-19-5-2-1-3-6-19/h1-12,21H,13-18H2.
What are the key properties of 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 388.49 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 95809941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).