1-[(1R,2S)-2-methylcyclohexyl]piperazine

C11H22N2 — CID 796159

IUPAC1-[(1R,2S)-2-methylcyclohexyl]piperazine
SMILESC[C@H]1CCCC[C@H]1N1CCNCC1
InChIInChI=1S/C11H22N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyZYJADGWLXSPEIR-WDEREUQCSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

About 1-[(1R,2S)-2-methylcyclohexyl]piperazine

1-[(1R,2S)-2-methylcyclohexyl]piperazine (PubChem CID 796159) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclohexyl]piperazine.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclohexyl]piperazine
PubChem CID796159
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[(1R,2S)-2-methylcyclohexyl]piperazine
SMILESC[C@H]1CCCC[C@H]1N1CCNCC1
InChIInChI=1S/C11H22N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyZYJADGWLXSPEIR-WDEREUQCSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(2R)-2-methylcyclopentyl]piperidine
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1-[(1R,2R)-2-fluorocyclohexyl]piperazine
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trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003
1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone
CID 59992004
trans-(1R,2R)-2-(1,4-diazepan-1-yl)cyclohexan-1-ol
CID 93346121
3-ethyl-3-methyl-1-(2-methylcyclopentyl)piperazine
CID 64952203
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CID 64566824

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]piperazine?
The IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]piperazine (CID 796159) is 1-[(1R,2S)-2-methylcyclohexyl]piperazine.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclohexyl]piperazine?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclohexyl]piperazine is C[C@H]1CCCC[C@H]1N1CCNCC1.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclohexyl]piperazine?
The InChIKey is ZYJADGWLXSPEIR-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h10-12H,2-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclohexyl]piperazine?
1-[(1R,2S)-2-methylcyclohexyl]piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclohexyl]piperazine is sourced from PubChem (CID 796159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).