1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine

C28H36N2O — CID 176945295

IUPAC1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine
SMILESC1=CC(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)=CCC1
InChIInChI=1S/C28H36N2O/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/h2-4,6-9,11-12,14-17,28H,1,5,10,13,18-24H2
InChIKeyKIZUBQXASHYYGN-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.47
Rot. Bonds10

About 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine

1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine (PubChem CID 176945295) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine
PubChem CID176945295
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine
SMILESC1=CC(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)=CCC1
InChIInChI=1S/C28H36N2O/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/h2-4,6-9,11-12,14-17,28H,1,5,10,13,18-24H2
InChIKeyKIZUBQXASHYYGN-UHFFFAOYSA-N
XLogP5.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine 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

1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine
CID 164597880
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile;hydrochloride
CID 54584728
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;sulfuric acid
CID 10239703
1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
CID 24825327

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine (CID 176945295) is 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine is C1=CC(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)=CCC1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine?
The InChIKey is KIZUBQXASHYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O/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/h2-4,6-9,11-12,14-17,28H,1,5,10,13,18-24H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine?
1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine has a molecular weight of 416.61 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine is sourced from PubChem (CID 176945295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).