(3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride

C22H25Cl2NO3 — CID 45265040

IUPAC(3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCO/C=C(/c2ccccc2)c2ccccc2Cl)C1
InChIInChI=1S/C22H24ClNO3.ClH/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26;/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26);1H/b20-16-;/t18-;/m1./s1
InChIKeyUZAHFHRMZXYWKD-WSSRNOTBSA-N
MW422.35 g/mol
LogP4.96
Rot. Bonds7

About (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride

(3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride (PubChem CID 45265040) has the molecular formula C22H25Cl2NO3 and a molecular weight of 422.35 g/mol. Its IUPAC name is (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
PubChem CID45265040
Molecular FormulaC22H25Cl2NO3
Molecular Weight422.35 g/mol
Exact Mass421.12
IUPAC Name(3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCO/C=C(/c2ccccc2)c2ccccc2Cl)C1
InChIInChI=1S/C22H24ClNO3.ClH/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26;/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26);1H/b20-16-;/t18-;/m1./s1
InChIKeyUZAHFHRMZXYWKD-WSSRNOTBSA-N
XLogP4.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(R)-1-(2-((2,2-Diphenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 24842617
(r)-n-(2-(3,3-Diphenyl-1-propyloxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 24842619
1-[2-(3,3-Diphenyl-propoxy)-ethyl]-piperidine-3-carboxylic acid; hydrochloride
CID 24842620
(3R)-1-[2-[2,2-bis(2-methylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261563
(3R)-1-[2-[bis(2-chloro-4-fluorophenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261567
(3R)-1-[2-[bis(3-chlorophenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261601
Z-(R)-1-(2-((2-(2-Methylphenyl)-2-phenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 45261615
(R)-1-(2-((2,2-bis(2-Ethylphenyl)ethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 45261616
(3R)-1-[2-[2,2-bis(2,4-difluorophenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261618
(3R)-1-[2-[2,2-bis(2-chlorophenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261620
Z-(R)-1-[2-[[2-(3-Fluorophenyl)-2-(2-methylphenyl) ethenyl]oxy]ethyl]-3-piperidine carboxylic acid hydrochloride
CID 45261624
(3R)-1-[2-[(Z)-[(2-chlorophenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261627

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride (CID 45265040) is (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN(CCO/C=C(/c2ccccc2)c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is UZAHFHRMZXYWKD-WSSRNOTBSA-N. The full InChI is InChI=1S/C22H24ClNO3.ClH/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26;/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26);1H/b20-16-;/t18-;/m1./s1.
What are the key properties of (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride?
(3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 422.35 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(Z)-2-(2-chlorophenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45265040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).