3-methylpiperidine-3-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 54595615

IUPAC3-methylpiperidine-3-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCCNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(6(9)10)3-2-4-8-5-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyKSMYDSAXTLQXCI-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.88
Rot. Bonds1

About 3-methylpiperidine-3-carboxylic acid;hydrochloride

3-methylpiperidine-3-carboxylic acid;hydrochloride (PubChem CID 54595615) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-methylpiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methylpiperidine-3-carboxylic acid;hydrochloride
PubChem CID54595615
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name3-methylpiperidine-3-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCCNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(6(9)10)3-2-4-8-5-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChIKeyKSMYDSAXTLQXCI-UHFFFAOYSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-methylpiperidine-3-carboxylic acid;hydrochloride (CID 54595615) is 3-methylpiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methylpiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methylpiperidine-3-carboxylic acid;hydrochloride is CC1(C(=O)O)CCCNC1.Cl.
What is the InChIKey of 3-methylpiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is KSMYDSAXTLQXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-7(6(9)10)3-2-4-8-5-7;/h8H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 3-methylpiperidine-3-carboxylic acid;hydrochloride?
3-methylpiperidine-3-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 54595615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).