(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 126970561

IUPAC(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESC[C@H]1CNCC[C@@H]1C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-4-8-3-2-6(5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyIFRKXMIEHXHLNL-GEMLJDPKSA-N
MW179.65 g/mol
LogP0.74
Rot. Bonds1

About (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride

(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 126970561) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID126970561
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESC[C@H]1CNCC[C@@H]1C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-4-8-3-2-6(5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyIFRKXMIEHXHLNL-GEMLJDPKSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-methylpiperidine-3-carboxylic acid
CID 67216948
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
CID 130516226
N-methoxy-3-methylpiperidine-4-carboxamide
CID 130516234
tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
CID 96740148
3-propan-2-ylpiperidine-4-carboxylic acid
CID 82598426
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride
CID 143614635
N-(cyclopropylmethyl)-3-methylpiperidine-4-carboxamide
CID 130516172

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride (CID 126970561) is (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride is C[C@H]1CNCC[C@@H]1C(=O)O.Cl.
What is the InChIKey of (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is IFRKXMIEHXHLNL-GEMLJDPKSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-5-4-8-3-2-6(5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6-;/m0./s1.
What are the key properties of (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride?
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 126970561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).