3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine

C16H32N2 — CID 63863678

IUPAC3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine
SMILESCC1CCC(C(C)C)C(N2CC(C)NC(C)C2)C1
InChIInChI=1S/C16H32N2/c1-11(2)15-7-6-12(3)8-16(15)18-9-13(4)17-14(5)10-18/h11-17H,6-10H2,1-5H3
InChIKeyJWAFUFKHKAWHJR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds2

About 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine

3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine (PubChem CID 63863678) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine
PubChem CID63863678
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine
SMILESCC1CCC(C(C)C)C(N2CC(C)NC(C)C2)C1
InChIInChI=1S/C16H32N2/c1-11(2)15-7-6-12(3)8-16(15)18-9-13(4)17-14(5)10-18/h11-17H,6-10H2,1-5H3
InChIKeyJWAFUFKHKAWHJR-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678237
N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 115300000
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 65066159
N-(cyclopropylmethyl)-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-amine
CID 115306971
bis[1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazol-2-ylidene]palladium
CID 22924729
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 93286230
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine (CID 63863678) is 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine is CC1CCC(C(C)C)C(N2CC(C)NC(C)C2)C1.
What is the InChIKey of 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine?
The InChIKey is JWAFUFKHKAWHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-11(2)15-7-6-12(3)8-16(15)18-9-13(4)17-14(5)10-18/h11-17H,6-10H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine?
3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 63863678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).