1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one

C27H34FNO — CID 56672152

IUPAC1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one
SMILESO=C(CCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H34FNO/c28-25-11-9-24(10-12-25)27(16-5-2-6-17-27)18-13-26(30)23-14-19-29(20-15-23)21-22-7-3-1-4-8-22/h1,3-4,7-12,23H,2,5-6,13-21H2
InChIKeyOVEAWGMEVJJGNZ-UHFFFAOYSA-N
MW407.57 g/mol
LogP6.29
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one

1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one (PubChem CID 56672152) has the molecular formula C27H34FNO and a molecular weight of 407.57 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one
PubChem CID56672152
Molecular FormulaC27H34FNO
Molecular Weight407.57 g/mol
Exact Mass407.26
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one
SMILESO=C(CCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H34FNO/c28-25-11-9-24(10-12-25)27(16-5-2-6-17-27)18-13-26(30)23-14-19-29(20-15-23)21-22-7-3-1-4-8-22/h1,3-4,7-12,23H,2,5-6,13-21H2
InChIKeyOVEAWGMEVJJGNZ-UHFFFAOYSA-N
XLogP6.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.57
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13330
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one (CID 56672152) is 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one is O=C(CCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one?
The InChIKey is OVEAWGMEVJJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FNO/c28-25-11-9-24(10-12-25)27(16-5-2-6-17-27)18-13-26(30)23-14-19-29(20-15-23)21-22-7-3-1-4-8-22/h1,3-4,7-12,23H,2,5-6,13-21H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one?
1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one has a molecular weight of 407.57 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[1-(4-fluorophenyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 56672152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).