2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid

C22H24ClNO3 — CID 54424990

IUPAC2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCC(=C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClNO3/c23-20-8-6-18(7-9-20)22(17-4-2-1-3-5-17)19-10-12-24(13-11-19)14-15-27-16-21(25)26/h1-9H,10-16H2,(H,25,26)
InChIKeyWDLVFFGVQFIPLL-UHFFFAOYSA-N
MW385.89 g/mol
LogP4.34
Rot. Bonds7

About 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid

2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid (PubChem CID 54424990) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
PubChem CID54424990
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCC(=C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClNO3/c23-20-8-6-18(7-9-20)22(17-4-2-1-3-5-17)19-10-12-24(13-11-19)14-15-27-16-21(25)26/h1-9H,10-16H2,(H,25,26)
InChIKeyWDLVFFGVQFIPLL-UHFFFAOYSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]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-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
CID 54271471
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
CID 71587103
4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
CID 139685650
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
2-[2-[4-[(R)-(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
CID 76968869
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
CID 46172910
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
CID 121489204
chloro 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
CID 176914942

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid (CID 54424990) is 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid is O=C(O)COCCN1CCC(=C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid?
The InChIKey is WDLVFFGVQFIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO3/c23-20-8-6-18(7-9-20)22(17-4-2-1-3-5-17)19-10-12-24(13-11-19)14-15-27-16-21(25)26/h1-9H,10-16H2,(H,25,26).
What are the key properties of 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid?
2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid has a molecular weight of 385.89 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 54424990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).