(6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one

C15H26N2O — CID 131896201

IUPAC(6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one
SMILESCC1=C(CN2CC(=O)N[C@@H](C)C2)C(C)(C)CCC1
InChIInChI=1S/C15H26N2O/c1-11-6-5-7-15(3,4)13(11)9-17-8-12(2)16-14(18)10-17/h12H,5-10H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyQIXMGPDMSLDSII-LBPRGKRZSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds2

About (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one

(6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one (PubChem CID 131896201) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one
PubChem CID131896201
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one
SMILESCC1=C(CN2CC(=O)N[C@@H](C)C2)C(C)(C)CCC1
InChIInChI=1S/C15H26N2O/c1-11-6-5-7-15(3,4)13(11)9-17-8-12(2)16-14(18)10-17/h12H,5-10H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyQIXMGPDMSLDSII-LBPRGKRZSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6R)-4-ethyl-6-methylpiperazin-2-one
CID 171516065
4-ethyl-6-methylpiperazin-2-one
CID 89081094
2-methyl-6-[(2,6,6-trimethylcyclohexen-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861931
6-methyl-4-propylpiperazin-2-one
CID 129133704
4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
CID 128702306
4-[[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-6-methylpiperazin-2-one
CID 146130340
4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
CID 126790707
cis-(2R,5R)-2-methyl-5-propan-2-yl-11-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione
CID 135101790
(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
CID 155858654
bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one
CID 171515285
4-(3-methyl-5-oxopiperazin-1-yl)butanenitrile
CID 130921073
1-ethyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine
CID 782301

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one?
The IUPAC name of (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one (CID 131896201) is (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one.
What is the SMILES notation for (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one?
The canonical SMILES for (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one is CC1=C(CN2CC(=O)N[C@@H](C)C2)C(C)(C)CCC1.
What is the InChIKey of (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one?
The InChIKey is QIXMGPDMSLDSII-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-6-5-7-15(3,4)13(11)9-17-8-12(2)16-14(18)10-17/h12H,5-10H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one?
(6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one is sourced from PubChem (CID 131896201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).