2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride

C9H18ClNO2 — CID 167714407

IUPAC2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride
SMILESCC1(C)CCN(CC(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2)3-5-10(6-4-9)7-8(11)12;/h3-7H2,1-2H3,(H,11,12);1H
InChIKeyKBJMKEGARCGMHN-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.61
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride

2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride (PubChem CID 167714407) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride
PubChem CID167714407
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride
SMILESCC1(C)CCN(CC(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2)3-5-10(6-4-9)7-8(11)12;/h3-7H2,1-2H3,(H,11,12);1H
InChIKeyKBJMKEGARCGMHN-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride (CID 167714407) is 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride is CC1(C)CCN(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride?
The InChIKey is KBJMKEGARCGMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-9(2)3-5-10(6-4-9)7-8(11)12;/h3-7H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride?
2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 167714407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).