2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C14H26N2O2 — CID 65420326

IUPAC2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCN(C)CC2)C1C
InChIInChI=1S/C14H26N2O2/c1-11-5-4-6-14(12(11)2,13(17)18)16-9-7-15(3)8-10-16/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyNIYDCEKZDYDSGY-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.51
Rot. Bonds2

About 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 65420326) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID65420326
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCN(C)CC2)C1C
InChIInChI=1S/C14H26N2O2/c1-11-5-4-6-14(12(11)2,13(17)18)16-9-7-15(3)8-10-16/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyNIYDCEKZDYDSGY-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 65420326) is 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is CC1CCCC(C(=O)O)(N2CCN(C)CC2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is NIYDCEKZDYDSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-5-4-6-14(12(11)2,13(17)18)16-9-7-15(3)8-10-16/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65420326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).