1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

C15H26N2O — CID 106655601

IUPAC1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCCC1)N1CCNCC1
InChIInChI=1S/C15H26N2O/c1-15(2,17-11-9-16-10-12-17)14(18)13-7-5-3-4-6-8-13/h7,16H,3-6,8-12H2,1-2H3
InChIKeyGECKLNMXZOLXQB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.13
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 106655601) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID106655601
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCCC1)N1CCNCC1
InChIInChI=1S/C15H26N2O/c1-15(2,17-11-9-16-10-12-17)14(18)13-7-5-3-4-6-8-13/h7,16H,3-6,8-12H2,1-2H3
InChIKeyGECKLNMXZOLXQB-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
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1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
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1-(cycloocten-1-yl)-2-(diethylamino)-2-methylbutan-1-one
CID 106651982
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
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1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
CID 103450416
cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 106655318
2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one
CID 116924134
1-(cyclohepten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
CID 106651997
2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
CID 67914178
1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
CID 106651828
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 106655601) is 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is CC(C)(C(=O)C1=CCCCCC1)N1CCNCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is GECKLNMXZOLXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,17-11-9-16-10-12-17)14(18)13-7-5-3-4-6-8-13/h7,16H,3-6,8-12H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 250.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 106655601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).