azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid

C33H36N2O2 — CID 173450342

IUPACazane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid
SMILESN.O=C(O)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H33NO2.H3N/c35-31(36)32(27-13-5-1-6-14-27)21-24-34(25-22-32)26-23-33(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;/h1-20H,21-26H2,(H,35,36);1H3
InChIKeyGFZGUCWDOHBXQN-UHFFFAOYSA-N
MW492.66 g/mol
LogP6.69
Rot. Bonds8

About azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid

azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid (PubChem CID 173450342) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Nameazane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid
PubChem CID173450342
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Nameazane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid
SMILESN.O=C(O)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H33NO2.H3N/c35-31(36)32(27-13-5-1-6-14-27)21-24-34(25-22-32)26-23-33(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;/h1-20H,21-26H2,(H,35,36);1H3
InChIKeyGFZGUCWDOHBXQN-UHFFFAOYSA-N
XLogP6.69
TPSA75.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Diphenoxylate
CID 13505
Diphenoxylate Hydrochloride
CID 6432394
Difenoxin
CID 34328
Difenoxin Hydrochloride
CID 53447387
Meperidine acid
CID 101106
4-(Dimethylamino)-2,2-diphenylpentanoic acid
CID 219704
Ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
CID 20975957
Butoxylate
CID 189909
4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, methyl ester
CID 71455850
4-Phenyl-1-(2-phenylacetyl)piperidine-4-carboxylic acid
CID 9535491
(4R)-4-(dimethylamino)-2,2-diphenylpentanoic acid
CID 92146702
(4S)-4-(dimethylamino)-2,2-diphenylpentanoic acid
CID 92278958

Frequently Asked Questions

What is the IUPAC name of azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid (CID 173450342) is azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid is N.O=C(O)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is GFZGUCWDOHBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO2.H3N/c35-31(36)32(27-13-5-1-6-14-27)21-24-34(25-22-32)26-23-33(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;/h1-20H,21-26H2,(H,35,36);1H3.
What are the key properties of azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid?
azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 492.66 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 173450342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).