2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid

C17H32N2O2 — CID 107430404

IUPAC2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid
SMILESCC(C)CC1CCCC(CC(=O)O)(N2CCN(C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-14(2)11-15-5-4-6-17(12-15,13-16(20)21)19-9-7-18(3)8-10-19/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyCGMLQCCGCVHFIM-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid

2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid (PubChem CID 107430404) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid
PubChem CID107430404
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid
SMILESCC(C)CC1CCCC(CC(=O)O)(N2CCN(C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-14(2)11-15-5-4-6-17(12-15,13-16(20)21)19-9-7-18(3)8-10-19/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyCGMLQCCGCVHFIM-UHFFFAOYSA-N
XLogP2.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65421643
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64526836
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
CID 107428904
2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65419694
2-[3-ethoxy-1-(4-methylpiperazin-1-yl)cyclobutyl]acetic acid
CID 106824241
[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429031
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
2-[4-(4-methylpiperazin-1-yl)-1-propylazepan-4-yl]acetic acid
CID 65422711
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid (CID 107430404) is 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid is CC(C)CC1CCCC(CC(=O)O)(N2CCN(C)CC2)C1.
What is the InChIKey of 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid?
The InChIKey is CGMLQCCGCVHFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)11-15-5-4-6-17(12-15,13-16(20)21)19-9-7-18(3)8-10-19/h14-15H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid?
2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid has a molecular weight of 296.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid is sourced from PubChem (CID 107430404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).