4-piperidin-1-ylbutanoic acid;hydrochloride

C9H18ClNO2 — CID 13172081

IUPAC4-piperidin-1-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c11-9(12)5-4-8-10-6-2-1-3-7-10;/h1-8H2,(H,11,12);1H
InChIKeyIZVIJYFRXDQEOR-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.76
Rot. Bonds4

About 4-piperidin-1-ylbutanoic acid;hydrochloride

4-piperidin-1-ylbutanoic acid;hydrochloride (PubChem CID 13172081) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-piperidin-1-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-piperidin-1-ylbutanoic acid;hydrochloride
PubChem CID13172081
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name4-piperidin-1-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c11-9(12)5-4-8-10-6-2-1-3-7-10;/h1-8H2,(H,11,12);1H
InChIKeyIZVIJYFRXDQEOR-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbutanoic acid;hydrochloride?
The IUPAC name of 4-piperidin-1-ylbutanoic acid;hydrochloride (CID 13172081) is 4-piperidin-1-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-piperidin-1-ylbutanoic acid;hydrochloride?
The canonical SMILES for 4-piperidin-1-ylbutanoic acid;hydrochloride is Cl.O=C(O)CCCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutanoic acid;hydrochloride?
The InChIKey is IZVIJYFRXDQEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c11-9(12)5-4-8-10-6-2-1-3-7-10;/h1-8H2,(H,11,12);1H.
What are the key properties of 4-piperidin-1-ylbutanoic acid;hydrochloride?
4-piperidin-1-ylbutanoic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 13172081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).