3-piperidin-1-ylpropanoic acid;hydrochloride

C8H16ClNO2 — CID 13131921

IUPAC3-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCCCC1
InChIInChI=1S/C8H15NO2.ClH/c10-8(11)4-7-9-5-2-1-3-6-9;/h1-7H2,(H,10,11);1H
InChIKeyZBTNZXCCWPOONU-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.37
Rot. Bonds3

About 3-piperidin-1-ylpropanoic acid;hydrochloride

3-piperidin-1-ylpropanoic acid;hydrochloride (PubChem CID 13131921) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-piperidin-1-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylpropanoic acid;hydrochloride
PubChem CID13131921
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCCCC1
InChIInChI=1S/C8H15NO2.ClH/c10-8(11)4-7-9-5-2-1-3-6-9;/h1-7H2,(H,10,11);1H
InChIKeyZBTNZXCCWPOONU-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropanoic acid;hydrochloride?
The IUPAC name of 3-piperidin-1-ylpropanoic acid;hydrochloride (CID 13131921) is 3-piperidin-1-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-piperidin-1-ylpropanoic acid;hydrochloride?
The canonical SMILES for 3-piperidin-1-ylpropanoic acid;hydrochloride is Cl.O=C(O)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropanoic acid;hydrochloride?
The InChIKey is ZBTNZXCCWPOONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c10-8(11)4-7-9-5-2-1-3-6-9;/h1-7H2,(H,10,11);1H.
What are the key properties of 3-piperidin-1-ylpropanoic acid;hydrochloride?
3-piperidin-1-ylpropanoic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 13131921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).