1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone

C22H34N2O — CID 2846303

IUPAC1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C22H34N2O/c1-17(25)18-5-9-20(10-6-18)23-13-15-24(16-14-23)21-11-7-19(8-12-21)22(2,3)4/h5-6,9-10,19,21H,7-8,11-16H2,1-4H3
InChIKeyKLCNIKLILHLHJV-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.62
Rot. Bonds3

About 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 2846303) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
PubChem CID2846303
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C22H34N2O/c1-17(25)18-5-9-20(10-6-18)23-13-15-24(16-14-23)21-11-7-19(8-12-21)22(2,3)4/h5-6,9-10,19,21H,7-8,11-16H2,1-4H3
InChIKeyKLCNIKLILHLHJV-UHFFFAOYSA-N
XLogP4.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-[4-[4-(thian-4-yl)piperazin-1-yl]phenyl]ethanone
CID 91833277
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
4-[4-(4-pentylcyclohexyl)piperazin-1-yl]benzoic acid
CID 22713170
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 63150977
4-(4-cyclopropylpiperazin-1-yl)benzenethiol
CID 91011479

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone (CID 2846303) is 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is KLCNIKLILHLHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-17(25)18-5-9-20(10-6-18)23-13-15-24(16-14-23)21-11-7-19(8-12-21)22(2,3)4/h5-6,9-10,19,21H,7-8,11-16H2,1-4H3.
What are the key properties of 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 342.53 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2846303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).