1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride

C9H18ClNO3 — CID 45075032

IUPAC1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCOCCN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-13-7-6-10-4-2-8(3-5-10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKeyZYFWOAPOALIEQT-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.85
Rot. Bonds4

About 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride

1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 45075032) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID45075032
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCOCCN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-13-7-6-10-4-2-8(3-5-10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKeyZYFWOAPOALIEQT-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride (CID 45075032) is 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride is COCCN1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is ZYFWOAPOALIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-13-7-6-10-4-2-8(3-5-10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H.
What are the key properties of 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 45075032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).