3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride

C15H29ClN2O — CID 120570290

IUPAC3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCC2CCCCC2)C1C.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12-13(2)17(11-10-16-12)15(18)9-8-14-6-4-3-5-7-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyMREHZIWIOAFQID-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.98
Rot. Bonds3

About 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride

3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 120570290) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID120570290
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCC2CCCCC2)C1C.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12-13(2)17(11-10-16-12)15(18)9-8-14-6-4-3-5-7-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyMREHZIWIOAFQID-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572103
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276
3-cyclohexyl-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82245084
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
1-(2,3-dimethylpiperazin-1-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one;hydrochloride
CID 120571118
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120571955
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride (CID 120570290) is 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride is CC1NCCN(C(=O)CCC2CCCCC2)C1C.Cl.
What is the InChIKey of 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is MREHZIWIOAFQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-12-13(2)17(11-10-16-12)15(18)9-8-14-6-4-3-5-7-14;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120570290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).