1-(3,4-dimethylcyclohexyl)-3-methylpiperazine

C13H26N2 — CID 64952254

IUPAC1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
SMILESCC1CN(C2CCC(C)C(C)C2)CCN1
InChIInChI=1S/C13H26N2/c1-10-4-5-13(8-11(10)2)15-7-6-14-12(3)9-15/h10-14H,4-9H2,1-3H3
InChIKeyCEXFPKILVPTDSZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine

1-(3,4-dimethylcyclohexyl)-3-methylpiperazine (PubChem CID 64952254) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
PubChem CID64952254
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
SMILESCC1CN(C2CCC(C)C(C)C2)CCN1
InChIInChI=1S/C13H26N2/c1-10-4-5-13(8-11(10)2)15-7-6-14-12(3)9-15/h10-14H,4-9H2,1-3H3
InChIKeyCEXFPKILVPTDSZ-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104975923
(3S)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104977366
1-cyclopropyl-3-methylpiperazine
CID 64926788
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
CID 64743687
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine
CID 156515970
3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine
CID 64952857
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952038
1-(2,6-dimethylcyclohexyl)-3-methylpiperazine
CID 65416353
1-(2,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64953434
(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine
CID 104975328

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine (CID 64952254) is 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine is CC1CN(C2CCC(C)C(C)C2)CCN1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
The InChIKey is CEXFPKILVPTDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-4-5-13(8-11(10)2)15-7-6-14-12(3)9-15/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
1-(3,4-dimethylcyclohexyl)-3-methylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-methylpiperazine is sourced from PubChem (CID 64952254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).