2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride

C8H16ClNO3 — CID 54595067

IUPAC2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride
SMILESCN1CCC(O)(CC(=O)O)CC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-9-4-2-8(12,3-5-9)6-7(10)11;/h12H,2-6H2,1H3,(H,10,11);1H
InChIKeyHWSAIGGMTQOPFV-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.34
Rot. Bonds2

About 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride

2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride (PubChem CID 54595067) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride
PubChem CID54595067
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride
SMILESCN1CCC(O)(CC(=O)O)CC1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-9-4-2-8(12,3-5-9)6-7(10)11;/h12H,2-6H2,1H3,(H,10,11);1H
InChIKeyHWSAIGGMTQOPFV-UHFFFAOYSA-N
XLogP0.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride (CID 54595067) is 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride is CN1CCC(O)(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride?
The InChIKey is HWSAIGGMTQOPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-9-4-2-8(12,3-5-9)6-7(10)11;/h12H,2-6H2,1H3,(H,10,11);1H.
What are the key properties of 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride?
2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methylpiperidin-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 54595067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).