(2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 67078918

IUPAC(2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride
SMILESC[C@@H]1CCN[C@@H](C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-2-3-8-6(4-5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6-;/m1./s1
InChIKeyVFHDXJSQHVCVDP-KGZKBUQUSA-N
MW179.65 g/mol
LogP0.88
Rot. Bonds1

About (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride

(2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride (PubChem CID 67078918) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride
PubChem CID67078918
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride
SMILESC[C@@H]1CCN[C@@H](C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-2-3-8-6(4-5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6-;/m1./s1
InChIKeyVFHDXJSQHVCVDP-KGZKBUQUSA-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 (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride (CID 67078918) is (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride is C[C@@H]1CCN[C@@H](C(=O)O)C1.Cl.
What is the InChIKey of (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride?
The InChIKey is VFHDXJSQHVCVDP-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-5-2-3-8-6(4-5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6-;/m1./s1.
What are the key properties of (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride?
(2R,4R)-4-methylpiperidine-2-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 (2R,4R)-4-methylpiperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67078918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).