4-(3-aminocyclohexyl)piperidine-1-carboxylic acid

C12H22N2O2 — CID 175254803

IUPAC4-(3-aminocyclohexyl)piperidine-1-carboxylic acid
SMILESNC1CCCC(C2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-11-3-1-2-10(8-11)9-4-6-14(7-5-9)12(15)16/h9-11H,1-8,13H2,(H,15,16)
InChIKeyHOWSVKRLLNFQGH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.89
Rot. Bonds1

About 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid

4-(3-aminocyclohexyl)piperidine-1-carboxylic acid (PubChem CID 175254803) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)piperidine-1-carboxylic acid
PubChem CID175254803
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(3-aminocyclohexyl)piperidine-1-carboxylic acid
SMILESNC1CCCC(C2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-11-3-1-2-10(8-11)9-4-6-14(7-5-9)12(15)16/h9-11H,1-8,13H2,(H,15,16)
InChIKeyHOWSVKRLLNFQGH-UHFFFAOYSA-N
XLogP1.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82924474
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281345
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
(3aR,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281501
3-cycloundecylcyclooctan-1-amine
CID 166997696
(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 95396709
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
CID 91798867

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid (CID 175254803) is 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid is NC1CCCC(C2CCN(C(=O)O)CC2)C1.
What is the InChIKey of 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid?
The InChIKey is HOWSVKRLLNFQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-11-3-1-2-10(8-11)9-4-6-14(7-5-9)12(15)16/h9-11H,1-8,13H2,(H,15,16).
What are the key properties of 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid?
4-(3-aminocyclohexyl)piperidine-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175254803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).