(2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 126816804

IUPAC(2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride
SMILESC[C@@H]1CC(C(=O)O)C[C@H](C)N1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5-3-7(8(10)11)4-6(2)9-5;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t5-,6+,7?;
InChIKeyNDFWKHGECKXNKR-VPEOJXMDSA-N
MW193.67 g/mol
LogP1.27
Rot. Bonds1

About (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride

(2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 126816804) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID126816804
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name(2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride
SMILESC[C@@H]1CC(C(=O)O)C[C@H](C)N1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5-3-7(8(10)11)4-6(2)9-5;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t5-,6+,7?;
InChIKeyNDFWKHGECKXNKR-VPEOJXMDSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride (CID 126816804) is (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride is C[C@@H]1CC(C(=O)O)C[C@H](C)N1.Cl.
What is the InChIKey of (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is NDFWKHGECKXNKR-VPEOJXMDSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-5-3-7(8(10)11)4-6(2)9-5;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t5-,6+,7?;.
What are the key properties of (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride?
(2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 126816804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).