(3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid

C23H29NO3 — CID 54306277

IUPAC(3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOCCc2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C23H29NO3/c25-23(26)22-11-6-13-24(18-22)14-16-27-15-12-20-9-4-5-10-21(20)17-19-7-2-1-3-8-19/h1-5,7-10,22H,6,11-18H2,(H,25,26)/t22-/m1/s1
InChIKeySHTCAROYCPQWRW-JOCHJYFZSA-N
MW367.49 g/mol
LogP3.63
Rot. Bonds9

About (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid

(3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid (PubChem CID 54306277) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid
PubChem CID54306277
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOCCc2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C23H29NO3/c25-23(26)22-11-6-13-24(18-22)14-16-27-15-12-20-9-4-5-10-21(20)17-19-7-2-1-3-8-19/h1-5,7-10,22H,6,11-18H2,(H,25,26)/t22-/m1/s1
InChIKeySHTCAROYCPQWRW-JOCHJYFZSA-N
XLogP3.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperidolate
CID 4839
Skf 89976
CID 92409
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
methyl (3S,4S)-1-methyl-4-(4-phenylphenyl)piperidine-3-carboxylate
CID 10710016
1-Methylpiperidin-3-yl diphenylacetate
CID 407339
1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CID 6917797
(R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid
CID 9797818
(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
Z-(R)-1-(2-((2-(2-Methylphenyl)-2-phenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 45261615

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid (CID 54306277) is (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCOCCc2ccccc2Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid?
The InChIKey is SHTCAROYCPQWRW-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29NO3/c25-23(26)22-11-6-13-24(18-22)14-16-27-15-12-20-9-4-5-10-21(20)17-19-7-2-1-3-8-19/h1-5,7-10,22H,6,11-18H2,(H,25,26)/t22-/m1/s1.
What are the key properties of (3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid?
(3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid has a molecular weight of 367.49 g/mol, XLogP of 3.63, 9 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-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 54306277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).