2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride

C15H29ClN2O — CID 120572102

IUPAC2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1NCCN(C(=O)CC2CCCCCC2)C1C.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12-13(2)17(10-9-16-12)15(18)11-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyHIXBHXVSIBRBAG-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.98
Rot. Bonds2

About 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride

2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 120572102) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID120572102
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1NCCN(C(=O)CC2CCCCCC2)C1C.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12-13(2)17(10-9-16-12)15(18)11-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyHIXBHXVSIBRBAG-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride (CID 120572102) is 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride is CC1NCCN(C(=O)CC2CCCCCC2)C1C.Cl.
What is the InChIKey of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is HIXBHXVSIBRBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-12-13(2)17(10-9-16-12)15(18)11-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride?
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120572102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).