2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride

C10H20ClNO2 — CID 162322945

IUPAC2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
SMILESCC(CCC1CCNCC1)C(=O)O.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(10(12)13)2-3-9-4-6-11-7-5-9;/h8-9,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyALQTYAUWHRVUFT-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.91
Rot. Bonds4

About 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride

2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride (PubChem CID 162322945) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
PubChem CID162322945
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
SMILESCC(CCC1CCNCC1)C(=O)O.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8(10(12)13)2-3-9-4-6-11-7-5-9;/h8-9,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyALQTYAUWHRVUFT-UHFFFAOYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
4-(4-fluorocyclohexyl)-2-methylbutanoic acid
CID 84733885
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119345602
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
6-methoxy-4-methyl-1-piperidin-4-ylhexan-3-one
CID 116563387
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
2-methyl-3-[4-[3-methyl-5-oxo-1-(2-piperidin-4-ylethyl)-1,2,4-triazol-4-yl]phenyl]propanoic acid;hydrochloride
CID 70078431
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718
ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
CID 176985779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride?
The IUPAC name of 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride (CID 162322945) is 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride is CC(CCC1CCNCC1)C(=O)O.Cl.
What is the InChIKey of 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride?
The InChIKey is ALQTYAUWHRVUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8(10(12)13)2-3-9-4-6-11-7-5-9;/h8-9,11H,2-7H2,1H3,(H,12,13);1H.
What are the key properties of 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride?
2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 162322945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).