3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one

C19H28N2O — CID 166604154

IUPAC3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(17-7-3-1-4-8-17)11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,18H,2,5-6,9-16H2
InChIKeyDIJLJSFVMBKNSN-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.21
Rot. Bonds5

About 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one

3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one (PubChem CID 166604154) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
PubChem CID166604154
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(17-7-3-1-4-8-17)11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,18H,2,5-6,9-16H2
InChIKeyDIJLJSFVMBKNSN-UHFFFAOYSA-N
XLogP3.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
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3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 62645116
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
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3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
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CID 62614251

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one (CID 166604154) is 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one is O=C(CCN1CCN(C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one?
The InChIKey is DIJLJSFVMBKNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(17-7-3-1-4-8-17)11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,18H,2,5-6,9-16H2.
What are the key properties of 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one?
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one has a molecular weight of 300.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 166604154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).