1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid

C23H26N2O2 — CID 11689833

IUPAC1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid
SMILESN#CC(CCCN1CCC(C(=O)O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-25-16-12-19(13-17-25)22(26)27/h1-6,8-11,19H,7,12-17H2,(H,26,27)
InChIKeySPPOCCZNANOPDP-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.07
Rot. Bonds7

About 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid

1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid (PubChem CID 11689833) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid
PubChem CID11689833
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid
SMILESN#CC(CCCN1CCC(C(=O)O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-25-16-12-19(13-17-25)22(26)27/h1-6,8-11,19H,7,12-17H2,(H,26,27)
InChIKeySPPOCCZNANOPDP-UHFFFAOYSA-N
XLogP4.07
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenoxin
CID 34328
Difenoxin Hydrochloride
CID 53447387
1-(5',11'-Dihydrospiro[cyclopentane-1,10'-dibenzo[a,d]cyclohepten]-3-yl)-4-methyl-4-piperidinecarboxylic acid
CID 49836300
1-[(3S)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]piperidine-4-carboxylic acid
CID 49836299
Oxalic acid;2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 23723097
(R)-1-(6,6-Diphenyl-hexyl)-piperidine-3-carboxylic acid; hydrochloride
CID 10570870
4-(3-Benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
CID 44536996
1-(4,4-Diphenylbutyl)piperidine-3-carboxylic acid
CID 44373456
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid amide
CID 11501402
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid ethyl ester
CID 11510165
2-[1-(4,4-Diphenylbut-3-enyl)azetidin-3-yl]acetic acid
CID 46907384
Ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate
CID 71454124

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid (CID 11689833) is 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid is N#CC(CCCN1CCC(C(=O)O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid?
The InChIKey is SPPOCCZNANOPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-25-16-12-19(13-17-25)22(26)27/h1-6,8-11,19H,7,12-17H2,(H,26,27).
What are the key properties of 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid?
1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 11689833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).