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

C13H26N2 — CID 104975923

IUPAC(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
SMILESCC1CCC(N2CCN[C@H](C)C2)CC1C
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/t10?,11?,12-,13?/m1/s1
InChIKeyCEXFPKILVPTDSZ-AYNROABZSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds1

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

(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine (PubChem CID 104975923) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
PubChem CID104975923
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
SMILESCC1CCC(N2CCN[C@H](C)C2)CC1C
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/t10?,11?,12-,13?/m1/s1
InChIKeyCEXFPKILVPTDSZ-AYNROABZSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine (CID 104975923) is (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine is CC1CCC(N2CCN[C@H](C)C2)CC1C.
What is the InChIKey of (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
The InChIKey is CEXFPKILVPTDSZ-AYNROABZSA-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/t10?,11?,12-,13?/m1/s1.
What are the key properties of (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine?
(3R)-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 (3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine is sourced from PubChem (CID 104975923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).