1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one

C21H29FN2O — CID 24781798

IUPAC1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
SMILESCC(=O)C=C1CCC(CCN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H29FN2O/c1-17(25)16-19-8-6-18(7-9-19)10-11-23-12-14-24(15-13-23)21-5-3-2-4-20(21)22/h2-5,16,18H,6-15H2,1H3/b19-16-
InChIKeyFOVZCTPBLYSTBH-MNDPQUGUSA-N
MW344.47 g/mol
LogP4.04
Rot. Bonds5

About 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one

1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one (PubChem CID 24781798) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
PubChem CID24781798
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
SMILESCC(=O)C=C1CCC(CCN2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H29FN2O/c1-17(25)16-19-8-6-18(7-9-19)10-11-23-12-14-24(15-13-23)21-5-3-2-4-20(21)22/h2-5,16,18H,6-15H2,1H3/b19-16-
InChIKeyFOVZCTPBLYSTBH-MNDPQUGUSA-N
XLogP4.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-7-methoxyheptan-4-one
CID 118486319
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 91937741

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one?
The IUPAC name of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one (CID 24781798) is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one.
What is the SMILES notation for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one?
The canonical SMILES for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one is CC(=O)C=C1CCC(CCN2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one?
The InChIKey is FOVZCTPBLYSTBH-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-17(25)16-19-8-6-18(7-9-19)10-11-23-12-14-24(15-13-23)21-5-3-2-4-20(21)22/h2-5,16,18H,6-15H2,1H3/b19-16-.
What are the key properties of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one?
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one has a molecular weight of 344.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one is sourced from PubChem (CID 24781798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).