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

C13H26N2 — CID 784145

IUPAC1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
SMILESCCN1CCN([C@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C13H26N2/c1-3-14-7-9-15(10-8-14)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMZHSWNHFTBHSNI-STQMWFEESA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds2

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

1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine (PubChem CID 784145) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
PubChem CID784145
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
SMILESCCN1CCN([C@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C13H26N2/c1-3-14-7-9-15(10-8-14)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMZHSWNHFTBHSNI-STQMWFEESA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
CID 742968
3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
CID 58236041
1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
CID 2900133
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 3708932
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
CID 90132085
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
The IUPAC name of 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine (CID 784145) is 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine is CCN1CCN([C@H]2CCC[C@H](C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
The InChIKey is MZHSWNHFTBHSNI-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2/c1-3-14-7-9-15(10-8-14)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine is sourced from PubChem (CID 784145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).