4-hydroxypiperidine-4-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 53399214

IUPAC4-hydroxypiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)CCNCC1
InChIInChI=1S/C6H11NO3.ClH/c8-5(9)6(10)1-3-7-4-2-6;/h7,10H,1-4H2,(H,8,9);1H
InChIKeyXJJJVKSYSBNXLV-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.39
Rot. Bonds1

About 4-hydroxypiperidine-4-carboxylic acid;hydrochloride

4-hydroxypiperidine-4-carboxylic acid;hydrochloride (PubChem CID 53399214) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-hydroxypiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-hydroxypiperidine-4-carboxylic acid;hydrochloride
PubChem CID53399214
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name4-hydroxypiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)CCNCC1
InChIInChI=1S/C6H11NO3.ClH/c8-5(9)6(10)1-3-7-4-2-6;/h7,10H,1-4H2,(H,8,9);1H
InChIKeyXJJJVKSYSBNXLV-UHFFFAOYSA-N
XLogP-0.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-hydroxypiperidine-4-carboxylic acid;hydrochloride (CID 53399214) is 4-hydroxypiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-hydroxypiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-hydroxypiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1(O)CCNCC1.
What is the InChIKey of 4-hydroxypiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is XJJJVKSYSBNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c8-5(9)6(10)1-3-7-4-2-6;/h7,10H,1-4H2,(H,8,9);1H.
What are the key properties of 4-hydroxypiperidine-4-carboxylic acid;hydrochloride?
4-hydroxypiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 53399214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).