(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride

C22H26ClNO3 — CID 24842617

IUPAC(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO3.ClH/c24-22(25)20-12-7-13-23(16-20)14-15-26-17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19;/h1-6,8-11,17,20H,7,12-16H2,(H,24,25);1H/t20-;/m1./s1
InChIKeyKLBQMBYKXVXBLN-VEIFNGETSA-N
MW387.91 g/mol
LogP4.31
Rot. Bonds7

About (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride

(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride (PubChem CID 24842617) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride
PubChem CID24842617
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO3.ClH/c24-22(25)20-12-7-13-23(16-20)14-15-26-17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19;/h1-6,8-11,17,20H,7,12-16H2,(H,24,25);1H/t20-;/m1./s1
InChIKeyKLBQMBYKXVXBLN-VEIFNGETSA-N
XLogP4.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.31
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride (CID 24842617) is (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is KLBQMBYKXVXBLN-VEIFNGETSA-N. The full InChI is InChI=1S/C22H25NO3.ClH/c24-22(25)20-12-7-13-23(16-20)14-15-26-17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19;/h1-6,8-11,17,20H,7,12-16H2,(H,24,25);1H/t20-;/m1./s1.
What are the key properties of (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride?
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 24842617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).