2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid

C16H23NO2 — CID 117013320

IUPAC2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid
SMILESCC(c1ccccc1)N1CCCC(C)(CC(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-13(14-7-4-3-5-8-14)17-10-6-9-16(2,12-17)11-15(18)19/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19)
InChIKeySZZFGDATUAUZMW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds4

About 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid

2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid (PubChem CID 117013320) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid
PubChem CID117013320
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid
SMILESCC(c1ccccc1)N1CCCC(C)(CC(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-13(14-7-4-3-5-8-14)17-10-6-9-16(2,12-17)11-15(18)19/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19)
InChIKeySZZFGDATUAUZMW-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(1-phenylethyl)azepan-4-ol
CID 107407753
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
2-[1-(3-bromophenyl)-3-methylpiperidin-3-yl]acetic acid
CID 117013353
methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 97184677
methyl 3-fluoro-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 169407977
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
bis[4-(methylaminomethyl)-1-(1-phenylethyl)piperidin-4-yl] oxalate
CID 57281314
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid (CID 117013320) is 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid is CC(c1ccccc1)N1CCCC(C)(CC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid?
The InChIKey is SZZFGDATUAUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(14-7-4-3-5-8-14)17-10-6-9-16(2,12-17)11-15(18)19/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid?
2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 117013320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).