1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine

C12H24N2 — CID 7047259

IUPAC1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
SMILESC[C@H]1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C12H24N2/c1-11-4-3-5-12(10-11)14-8-6-13(2)7-9-14/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyDVJAMUPZNMBWQZ-NWDGAFQWSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds1

About 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine

1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine (PubChem CID 7047259) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
PubChem CID7047259
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
SMILESC[C@H]1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C12H24N2/c1-11-4-3-5-12(10-11)14-8-6-13(2)7-9-14/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyDVJAMUPZNMBWQZ-NWDGAFQWSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 784145
4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
4-[(1S,3S)-3-methylcyclohexyl]piperazine-1-carbaldehyde
CID 758116
(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 70920710
1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
CID 2900133
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 3708932
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine?
The IUPAC name of 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine (CID 7047259) is 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine?
The canonical SMILES for 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine is C[C@H]1CCC[C@@H](N2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine?
The InChIKey is DVJAMUPZNMBWQZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-4-3-5-12(10-11)14-8-6-13(2)7-9-14/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine?
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine has a molecular weight of 196.34 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine is sourced from PubChem (CID 7047259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).