[1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C23H34FN3O — CID 1343470

IUPAC[1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(CC2CCCCC2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H34FN3O/c24-21-8-4-5-9-22(21)26-14-16-27(17-15-26)23(28)20-10-12-25(13-11-20)18-19-6-2-1-3-7-19/h4-5,8-9,19-20H,1-3,6-7,10-18H2
InChIKeyOCQVNGWESGRMFK-UHFFFAOYSA-N
MW387.54 g/mol
LogP3.77
Rot. Bonds4

About [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 1343470) has the molecular formula C23H34FN3O and a molecular weight of 387.54 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID1343470
Molecular FormulaC23H34FN3O
Molecular Weight387.54 g/mol
Exact Mass387.27
IUPAC Name[1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(CC2CCCCC2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H34FN3O/c24-21-8-4-5-9-22(21)26-14-16-27(17-15-26)23(28)20-10-12-25(13-11-20)18-19-6-2-1-3-7-19/h4-5,8-9,19-20H,1-3,6-7,10-18H2
InChIKeyOCQVNGWESGRMFK-UHFFFAOYSA-N
XLogP3.77
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 1343470) is [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCN(CC2CCCCC2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is OCQVNGWESGRMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O/c24-21-8-4-5-9-22(21)26-14-16-27(17-15-26)23(28)20-10-12-25(13-11-20)18-19-6-2-1-3-7-19/h4-5,8-9,19-20H,1-3,6-7,10-18H2.
What are the key properties of [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 387.54 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1343470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).