1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride

C22H26ClNO2 — CID 6917797

IUPAC1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H
InChIKeySNGGBKYQZVAQKA-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.73
Rot. Bonds6

About 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride

1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 6917797) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID6917797
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H
InChIKeySNGGBKYQZVAQKA-UHFFFAOYSA-N
XLogP4.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride (CID 6917797) is 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is SNGGBKYQZVAQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H.
What are the key properties of 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride?
1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 6917797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).