2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid

C23H29NO4 — CID 19874364

IUPAC2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid
SMILESCc1ccc(C(OC2CCN(CCOCC(=O)O)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4/c1-18-7-9-20(10-8-18)23(19-5-3-2-4-6-19)28-21-11-13-24(14-12-21)15-16-27-17-22(25)26/h2-10,21,23H,11-17H2,1H3,(H,25,26)
InChIKeyOJMRVMDSKGTYID-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.67
Rot. Bonds9

About 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid

2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid (PubChem CID 19874364) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid
PubChem CID19874364
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid
SMILESCc1ccc(C(OC2CCN(CCOCC(=O)O)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4/c1-18-7-9-20(10-8-18)23(19-5-3-2-4-6-19)28-21-11-13-24(14-12-21)15-16-27-17-22(25)26/h2-10,21,23H,11-17H2,1H3,(H,25,26)
InChIKeyOJMRVMDSKGTYID-UHFFFAOYSA-N
XLogP3.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]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

3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 10316907
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
CID 70366445
5-[[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 89474418
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl ethaneperoxoate
CID 88610837
6-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]hexanoic acid;hydrochloride
CID 67903314
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
but-2-enedioic acid;6-[4-[(4-tert-butylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoic acid
CID 67903218

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid (CID 19874364) is 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid is Cc1ccc(C(OC2CCN(CCOCC(=O)O)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid?
The InChIKey is OJMRVMDSKGTYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-18-7-9-20(10-8-18)23(19-5-3-2-4-6-19)28-21-11-13-24(14-12-21)15-16-27-17-22(25)26/h2-10,21,23H,11-17H2,1H3,(H,25,26).
What are the key properties of 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid?
2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid has a molecular weight of 383.49 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 19874364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).