4-aminopiperidine-4-carboxylic acid;hydrochloride

C6H13ClN2O2 — CID 45073614

IUPAC4-aminopiperidine-4-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCNCC1
InChIInChI=1S/C6H12N2O2.ClH/c7-6(5(9)10)1-3-8-4-2-6;/h8H,1-4,7H2,(H,9,10);1H
InChIKeyWEJBMXYYKRBCNU-UHFFFAOYSA-N
MW180.63 g/mol
LogP-0.43
Rot. Bonds1

About 4-aminopiperidine-4-carboxylic acid;hydrochloride

4-aminopiperidine-4-carboxylic acid;hydrochloride (PubChem CID 45073614) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 4-aminopiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-aminopiperidine-4-carboxylic acid;hydrochloride
PubChem CID45073614
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name4-aminopiperidine-4-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCNCC1
InChIInChI=1S/C6H12N2O2.ClH/c7-6(5(9)10)1-3-8-4-2-6;/h8H,1-4,7H2,(H,9,10);1H
InChIKeyWEJBMXYYKRBCNU-UHFFFAOYSA-N
XLogP-0.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-aminopiperidine-4-carboxylic acid;hydrochloride (CID 45073614) is 4-aminopiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-aminopiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-aminopiperidine-4-carboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-aminopiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is WEJBMXYYKRBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c7-6(5(9)10)1-3-8-4-2-6;/h8H,1-4,7H2,(H,9,10);1H.
What are the key properties of 4-aminopiperidine-4-carboxylic acid;hydrochloride?
4-aminopiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 45073614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).