(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid

C11H20N2O2 — CID 70920669

IUPAC(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC[C@@H](N2CCNCC2)C1
InChIInChI=1S/C11H20N2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h9-10,12H,1-8H2,(H,14,15)/t9?,10-/m1/s1
InChIKeyIGXDSRNVPRNZST-QVDQXJPCSA-N
MW212.29 g/mol
LogP0.54
Rot. Bonds2

About (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid

(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid (PubChem CID 70920669) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
PubChem CID70920669
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC[C@@H](N2CCNCC2)C1
InChIInChI=1S/C11H20N2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h9-10,12H,1-8H2,(H,14,15)/t9?,10-/m1/s1
InChIKeyIGXDSRNVPRNZST-QVDQXJPCSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 87187795
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 129416087
3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid
CID 79694969
(3R)-3-piperazin-1-ylcyclohexan-1-amine
CID 143940037
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304
3-(3,3-dimethoxyazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695707
1-(azetidin-3-yl)piperidine-4-carboxylic acid
CID 146155819
(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid
CID 125457412
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292

Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid (CID 70920669) is (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid is O=C(O)C1CCC[C@@H](N2CCNCC2)C1.
What is the InChIKey of (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is IGXDSRNVPRNZST-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h9-10,12H,1-8H2,(H,14,15)/t9?,10-/m1/s1.
What are the key properties of (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid?
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 70920669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).