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

C22H25NO3 — CID 10620277

IUPAC(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO3/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)/t20-/m1/s1
InChIKeyQXZRDASZZSRLBB-HXUWFJFHSA-N
MW351.45 g/mol
LogP3.89
Rot. Bonds7

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

(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid (PubChem CID 10620277) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
PubChem CID10620277
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO3/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)/t20-/m1/s1
InChIKeyQXZRDASZZSRLBB-HXUWFJFHSA-N
XLogP3.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.89
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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Related Compounds

(3R)-1-[2-[(E)-2-(2-methylphenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261661
(3R)-1-[2-[2,2-bis(2-methylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261563
(3R)-1-[2-[2,2-bis(2-ethylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid
CID 11797532
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555
(3R)-1-[2-[(Z)-2-(3-methoxyphenyl)-2-(2-methylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid
CID 70228302
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
(3R)-1-[(Z)-4-(2-fluorophenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53323981
1-[2-[3,3-bis(4-fluorophenyl)prop-2-enoxy]ethyl]piperidine-3-carboxylic acid
CID 10503147
(3R)-1-[(Z)-4-(2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53321703
(3R)-1-[(Z)-4-(2,6-dimethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53326406
1-[4-(2-methoxyphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 71337839
1-[2-[(3-methyl-1-phenylbut-1-enyl)amino]oxyethyl]piperidine-3-carboxylic acid
CID 57050550

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid (CID 10620277) is (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid is 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?
The InChIKey is QXZRDASZZSRLBB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25NO3/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)/t20-/m1/s1.
What are the key properties of (3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 3.89, 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 is sourced from PubChem (CID 10620277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).