(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 67923100

IUPAC(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
SMILESCN1CCC[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyYUNAYYMTACPBTD-RGMNGODLSA-N
MW179.65 g/mol
LogP0.83
Rot. Bonds1

About (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride

(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride (PubChem CID 67923100) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
PubChem CID67923100
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
SMILESCN1CCC[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyYUNAYYMTACPBTD-RGMNGODLSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-(1-methylpiperidin-3-yl)-2-sulfanylethanone
CID 116829941
1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 110837419
3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride (CID 67923100) is (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride is CN1CCC[C@H](C(=O)O)C1.Cl.
What is the InChIKey of (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is YUNAYYMTACPBTD-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride?
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67923100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).