1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid

C22H27NO3 — CID 10360727

IUPAC1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCCOC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H27NO3/c24-22(25)20-13-7-14-23(17-20)15-8-16-26-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,24,25)
InChIKeyZNCLTXBNNJSPBY-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.98
Rot. Bonds8

About 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid

1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid (PubChem CID 10360727) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid
PubChem CID10360727
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCCOC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H27NO3/c24-22(25)20-13-7-14-23(17-20)15-8-16-26-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,24,25)
InChIKeyZNCLTXBNNJSPBY-UHFFFAOYSA-N
XLogP3.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid (CID 10360727) is 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCCOC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid?
The InChIKey is ZNCLTXBNNJSPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c24-22(25)20-13-7-14-23(17-20)15-8-16-26-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2,(H,24,25).
What are the key properties of 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid?
1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid has a molecular weight of 353.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzhydryloxypropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 10360727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).