1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride

C23H30ClNO3 — CID 14698955

IUPAC1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(C(OCCN2CCCC(C(=O)O)C2)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-17-5-9-19(10-6-17)22(20-11-7-18(2)8-12-20)27-15-14-24-13-3-4-21(16-24)23(25)26;/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,25,26);1H
InChIKeyHBCUYHOYSLTWDA-UHFFFAOYSA-N
MW403.95 g/mol
LogP4.63
Rot. Bonds7

About 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride

1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride (PubChem CID 14698955) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
PubChem CID14698955
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC Name1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(C(OCCN2CCCC(C(=O)O)C2)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-17-5-9-19(10-6-17)22(20-11-7-18(2)8-12-20)27-15-14-24-13-3-4-21(16-24)23(25)26;/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,25,26);1H
InChIKeyHBCUYHOYSLTWDA-UHFFFAOYSA-N
XLogP4.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride (CID 14698955) is 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride is Cc1ccc(C(OCCN2CCCC(C(=O)O)C2)c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is HBCUYHOYSLTWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3.ClH/c1-17-5-9-19(10-6-17)22(20-11-7-18(2)8-12-20)27-15-14-24-13-3-4-21(16-24)23(25)26;/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,25,26);1H.
What are the key properties of 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 14698955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).