[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone

C24H29FN2O — CID 23435892

IUPAC[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C(c2cccc(F)c2)C2CCNCC2)CC1
InChIInChI=1S/C24H29FN2O/c25-22-8-4-7-21(17-22)23(18-9-13-26-14-10-18)19-11-15-27(16-12-19)24(28)20-5-2-1-3-6-20/h1-8,17-19,23,26H,9-16H2
InChIKeyQWGGBUUVYOHNRM-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.46
Rot. Bonds4

About [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone

[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone (PubChem CID 23435892) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone
PubChem CID23435892
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C(c2cccc(F)c2)C2CCNCC2)CC1
InChIInChI=1S/C24H29FN2O/c25-22-8-4-7-21(17-22)23(18-9-13-26-14-10-18)19-11-15-27(16-12-19)24(28)20-5-2-1-3-6-20/h1-8,17-19,23,26H,9-16H2
InChIKeyQWGGBUUVYOHNRM-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146043610
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119710258
[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone
CID 19771949
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111459545
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone (CID 23435892) is [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(C(c2cccc(F)c2)C2CCNCC2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is QWGGBUUVYOHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c25-22-8-4-7-21(17-22)23(18-9-13-26-14-10-18)19-11-15-27(16-12-19)24(28)20-5-2-1-3-6-20/h1-8,17-19,23,26H,9-16H2.
What are the key properties of [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone?
[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 380.51 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)-piperidin-4-ylmethyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 23435892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).