1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid

C12H22N2O2 — CID 82235388

IUPAC1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESNC1CCCN(C2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-5-4-8-14(9-10)12(11(15)16)6-2-1-3-7-12/h10H,1-9,13H2,(H,15,16)
InChIKeyQUISDQCOANZPAS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.20
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid

1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 82235388) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID82235388
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESNC1CCCN(C2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C12H22N2O2/c13-10-5-4-8-14(9-10)12(11(15)16)6-2-1-3-7-12/h10H,1-9,13H2,(H,15,16)
InChIKeyQUISDQCOANZPAS-UHFFFAOYSA-N
XLogP1.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,8aS)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylic acid
CID 154810488
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
1-(2-azaspiro[3.3]heptan-2-yl)cycloheptane-1-carboxylic acid
CID 79694328
1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 61291228
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
CID 79694842
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
1-(3,3-dimethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79695154
1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
1-(4-oxopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 69352996
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid
CID 91503415

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 82235388) is 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid is NC1CCCN(C2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is QUISDQCOANZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-5-4-8-14(9-10)12(11(15)16)6-2-1-3-7-12/h10H,1-9,13H2,(H,15,16).
What are the key properties of 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid?
1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82235388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).