3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one

C14H26N2O — CID 62672939

IUPAC3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H26N2O/c1-12-11-15-9-10-16(12)14(17)8-7-13-5-3-2-4-6-13/h12-13,15H,2-11H2,1H3
InChIKeyDLVIIUCTVZEWFR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds3

About 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one

3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one (PubChem CID 62672939) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
PubChem CID62672939
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H26N2O/c1-12-11-15-9-10-16(12)14(17)8-7-13-5-3-2-4-6-13/h12-13,15H,2-11H2,1H3
InChIKeyDLVIIUCTVZEWFR-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82245084
4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
CID 115273063
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
3-cyclopentylsulfonyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472973
3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120570290
2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472160
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742115
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one (CID 62672939) is 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one is CC1CNCCN1C(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one?
The InChIKey is DLVIIUCTVZEWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-11-15-9-10-16(12)14(17)8-7-13-5-3-2-4-6-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one?
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 62672939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).