4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine

C29H35NO — CID 10409508

IUPAC4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,11-12,14-17,26,29H,10,13,18-24H2
InChIKeyDJKYSTXGOFAUDC-UHFFFAOYSA-N
MW413.61 g/mol
LogP6.53
Rot. Bonds10

About 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine

4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine (PubChem CID 10409508) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine
PubChem CID10409508
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,11-12,14-17,26,29H,10,13,18-24H2
InChIKeyDJKYSTXGOFAUDC-UHFFFAOYSA-N
XLogP6.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenylpyraline
CID 3103
Vanoxerine
CID 3455
med.21724, Compound Benztropine
CID 1201549
Diphenylpyraline Hydrochloride
CID 66063
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723
Ethybenztropine
CID 20055089
Hepzidine
CID 70593
4-[2-(Diphenylmethoxy)ethyl]-1-[(4-iodophenyl)methyl]piperidine
CID 9914327
1''-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10245905
Vanoxerine dihydrochloride
CID 104920
3-(Diphenylmethoxy)-8-methyl-8-azabicyclo(3.2.1)octane
CID 2344

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine (CID 10409508) is 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine is c1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine?
The InChIKey is DJKYSTXGOFAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,11-12,14-17,26,29H,10,13,18-24H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine?
4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine has a molecular weight of 413.61 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 10409508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).