2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride

C8H16ClNO2 — CID 46735976

IUPAC2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
SMILESCC1CCCN(CC(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7-3-2-4-9(5-7)6-8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKeyJNXLGVVJGDGTER-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.22
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride

2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride (PubChem CID 46735976) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
PubChem CID46735976
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
SMILESCC1CCCN(CC(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7-3-2-4-9(5-7)6-8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKeyJNXLGVVJGDGTER-UHFFFAOYSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143
2-[3-(1-hydroxyethyl)piperidin-1-yl]acetic acid
CID 121201670
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride (CID 46735976) is 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride is CC1CCCN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride?
The InChIKey is JNXLGVVJGDGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-7-3-2-4-9(5-7)6-8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H.
What are the key properties of 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride?
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 46735976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).