2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

C15H29ClN2O2 — CID 119472718

IUPAC2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(OC1CCCCCC1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-12-11-16-9-10-17(12)15(18)13(2)19-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyVDLFCURNJXXJMZ-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.36
Rot. Bonds3

About 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 119472718) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID119472718
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(OC1CCCCCC1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-12-11-16-9-10-17(12)15(18)13(2)19-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyVDLFCURNJXXJMZ-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 130815989
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473115
2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 66246383
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472199

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 119472718) is 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is CC(OC1CCCCCC1)C(=O)N1CCNCC1C.Cl.
What is the InChIKey of 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is VDLFCURNJXXJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-12-11-16-9-10-17(12)15(18)13(2)19-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119472718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).