3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid

C16H22ClNO2 — CID 84752355

IUPAC3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid
SMILESCC1CCCN(C(C)(Cc2ccccc2Cl)C(=O)O)C1
InChIInChI=1S/C16H22ClNO2/c1-12-6-5-9-18(11-12)16(2,15(19)20)10-13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,20)
InChIKeyCFFMSIQNNPIENU-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.46
Rot. Bonds4

About 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid

3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid (PubChem CID 84752355) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid
PubChem CID84752355
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid
SMILESCC1CCCN(C(C)(Cc2ccccc2Cl)C(=O)O)C1
InChIInChI=1S/C16H22ClNO2/c1-12-6-5-9-18(11-12)16(2,15(19)20)10-13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,20)
InChIKeyCFFMSIQNNPIENU-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 84746800
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108997960
1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79068763
2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536
methyl (2S)-2-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropanoate
CID 97034679
methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate
CID 51698816
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid (CID 84752355) is 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid is CC1CCCN(C(C)(Cc2ccccc2Cl)C(=O)O)C1.
What is the InChIKey of 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid?
The InChIKey is CFFMSIQNNPIENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-6-5-9-18(11-12)16(2,15(19)20)10-13-7-3-4-8-14(13)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid?
3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid has a molecular weight of 295.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 84752355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).