2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid

C17H26N2O2 — CID 103245859

IUPAC2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
SMILESCCN1CCC(CNCc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-19-9-7-16(8-10-19)13-18-12-15-5-3-14(4-6-15)11-17(20)21/h3-6,16,18H,2,7-13H2,1H3,(H,20,21)
InChIKeyADYCNZABYUSXOT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds7

About 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid

2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid (PubChem CID 103245859) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
PubChem CID103245859
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
SMILESCCN1CCC(CNCc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-19-9-7-16(8-10-19)13-18-12-15-5-3-14(4-6-15)11-17(20)21/h3-6,16,18H,2,7-13H2,1H3,(H,20,21)
InChIKeyADYCNZABYUSXOT-UHFFFAOYSA-N
XLogP2.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenyl]acetic acid
CID 115461655
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol
CID 55203794
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631025
ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone
CID 142846441
2-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
CID 66444793

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid (CID 103245859) is 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid is CCN1CCC(CNCc2ccc(CC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid?
The InChIKey is ADYCNZABYUSXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-19-9-7-16(8-10-19)13-18-12-15-5-3-14(4-6-15)11-17(20)21/h3-6,16,18H,2,7-13H2,1H3,(H,20,21).
What are the key properties of 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid?
2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid has a molecular weight of 290.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103245859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).