1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine

C28H34N2O — CID 3456

IUPAC1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine
SMILESC1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKeyRAQPOZGWANIDQT-UHFFFAOYSA-N
MW414.60 g/mol
LogP5.40
Rot. Bonds10

About 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine

1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine (PubChem CID 3456) has the molecular formula C28H34N2O and a molecular weight of 414.60 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
PubChem CID3456
Molecular FormulaC28H34N2O
Molecular Weight414.60 g/mol
Exact Mass414.27
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine
SMILESC1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKeyRAQPOZGWANIDQT-UHFFFAOYSA-N
XLogP5.40
TPSA15.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity440

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenhydramine
CID 3100
Diphenhydramine Hydrochloride
CID 8980
Diphenylpyraline
CID 3103
Phendimetrazine
CID 30487
Vanoxerine
CID 3455
Diphenylpyraline Hydrochloride
CID 66063
Zipeprol
CID 36910
Bontril
CID 12460
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723
1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5974189
Emetonium iodide
CID 80084

Frequently Asked Questions

What is the IUPAC name of 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine (CID 3456) is 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine is C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine?
The InChIKey is RAQPOZGWANIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2.
What are the key properties of 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine?
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine has a molecular weight of 414.60 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 3456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).