1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride

C11H15ClN2O2 — CID 69142709

IUPAC1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(15)9-2-1-7-13(8-9)10-3-5-12-6-4-10;/h3-6,9H,1-2,7-8H2,(H,14,15);1H
InChIKeyRLDNJNZMEDXPEV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.80
Rot. Bonds2

About 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride

1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride (PubChem CID 69142709) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
PubChem CID69142709
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(15)9-2-1-7-13(8-9)10-3-5-12-6-4-10;/h3-6,9H,1-2,7-8H2,(H,14,15);1H
InChIKeyRLDNJNZMEDXPEV-UHFFFAOYSA-N
XLogP1.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride (CID 69142709) is 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(c2ccncc2)C1.
What is the InChIKey of 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is RLDNJNZMEDXPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c14-11(15)9-2-1-7-13(8-9)10-3-5-12-6-4-10;/h3-6,9H,1-2,7-8H2,(H,14,15);1H.
What are the key properties of 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride?
1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 69142709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).