3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride

C9H18ClNO3 — CID 146083019

IUPAC3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride
SMILESCN1CCC(OCCC(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-10-5-2-8(3-6-10)13-7-4-9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKeyIUUYSMLYWKANJP-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.99
Rot. Bonds4

About 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride

3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride (PubChem CID 146083019) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride
PubChem CID146083019
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride
SMILESCN1CCC(OCCC(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-10-5-2-8(3-6-10)13-7-4-9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKeyIUUYSMLYWKANJP-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride (CID 146083019) is 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride is CN1CCC(OCCC(=O)O)CC1.Cl.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride?
The InChIKey is IUUYSMLYWKANJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-10-5-2-8(3-6-10)13-7-4-9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H.
What are the key properties of 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride?
3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxypropanoic acid;hydrochloride is sourced from PubChem (CID 146083019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).