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

C13H26N2 — CID 64952038

IUPAC1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
SMILESCC1CN(C2CCC(C)(C)CC2)CCN1
InChIInChI=1S/C13H26N2/c1-11-10-15(9-8-14-11)12-4-6-13(2,3)7-5-12/h11-12,14H,4-10H2,1-3H3
InChIKeyBNZGQQSYISGYOS-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds1

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

1-(4,4-dimethylcyclohexyl)-3-methylpiperazine (PubChem CID 64952038) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
PubChem CID64952038
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
SMILESCC1CN(C2CCC(C)(C)CC2)CCN1
InChIInChI=1S/C13H26N2/c1-11-10-15(9-8-14-11)12-4-6-13(2,3)7-5-12/h11-12,14H,4-10H2,1-3H3
InChIKeyBNZGQQSYISGYOS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-methylpiperazine
CID 64926788
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperazine
CID 112682558
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
CID 64952444
1-(2,2-dimethylcyclobutyl)-3-methylpiperazine
CID 130554773
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104975923
(3S)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104977366
1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952254
3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane
CID 103968508
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine (CID 64952038) is 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine is CC1CN(C2CCC(C)(C)CC2)CCN1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine?
The InChIKey is BNZGQQSYISGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-10-15(9-8-14-11)12-4-6-13(2,3)7-5-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine?
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-methylpiperazine is sourced from PubChem (CID 64952038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).