1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone

C26H31NO — CID 23383773

IUPAC1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCN(C3CCCCC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H31NO/c1-20(28)21-12-14-23(15-13-21)26(22-8-4-2-5-9-22)24-16-18-27(19-17-24)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-19H2,1H3
InChIKeyPQGWKORCTMMFHJ-UHFFFAOYSA-N
MW373.54 g/mol
LogP6.12
Rot. Bonds4

About 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone

1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone (PubChem CID 23383773) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone
PubChem CID23383773
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCN(C3CCCCC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H31NO/c1-20(28)21-12-14-23(15-13-21)26(22-8-4-2-5-9-22)24-16-18-27(19-17-24)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-19H2,1H3
InChIKeyPQGWKORCTMMFHJ-UHFFFAOYSA-N
XLogP6.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone (CID 23383773) is 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone is CC(=O)c1ccc(C(=C2CCN(C3CCCCC3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone?
The InChIKey is PQGWKORCTMMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c1-20(28)21-12-14-23(15-13-21)26(22-8-4-2-5-9-22)24-16-18-27(19-17-24)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-19H2,1H3.
What are the key properties of 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone?
1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone has a molecular weight of 373.54 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone is sourced from PubChem (CID 23383773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).