2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid

C11H20N2O2 — CID 63069445

IUPAC2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C2CCCC2C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-5-7-13(8-6-12)10-4-2-3-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeySFDXQXZKODFOJB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.49
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid

2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 63069445) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID63069445
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C2CCCC2C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-5-7-13(8-6-12)10-4-2-3-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeySFDXQXZKODFOJB-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
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(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 55146326
2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63619710
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
CID 55146891
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81206109
2-(4-butan-2-ylpiperazin-1-yl)cycloheptane-1-carboxylic acid
CID 63074577
2-(3-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821308
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
CID 65286391

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 63069445) is 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CN1CCN(C2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is SFDXQXZKODFOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-5-7-13(8-6-12)10-4-2-3-9(10)11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63069445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).