1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine

C29H38N2O — CID 164597880

IUPAC1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine
SMILESCc1ccc(C(OCCN2CCN(CCCC3=CCCC=C3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H38N2O/c1-25-14-16-28(17-15-25)29(27-12-6-3-7-13-27)32-24-23-31-21-19-30(20-22-31)18-8-11-26-9-4-2-5-10-26/h3-4,6-7,9-10,12-17,29H,2,5,8,11,18-24H2,1H3
InChIKeyDFQRSJKLOAESBR-UHFFFAOYSA-N
MW430.64 g/mol
LogP5.78
Rot. Bonds10

About 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine

1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine (PubChem CID 164597880) has the molecular formula C29H38N2O and a molecular weight of 430.64 g/mol. Its IUPAC name is 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine
PubChem CID164597880
Molecular FormulaC29H38N2O
Molecular Weight430.64 g/mol
Exact Mass430.30
IUPAC Name1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine
SMILESCc1ccc(C(OCCN2CCN(CCCC3=CCCC=C3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H38N2O/c1-25-14-16-28(17-15-25)29(27-12-6-3-7-13-27)32-24-23-31-21-19-30(20-22-31)18-8-11-26-9-4-2-5-10-26/h3-4,6-7,9-10,12-17,29H,2,5,8,11,18-24H2,1H3
InChIKeyDFQRSJKLOAESBR-UHFFFAOYSA-N
XLogP5.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]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-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine
CID 176945295
1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 54531771
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
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
1,3-dimethyl-7-[2-[4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]ethyl]purine-2,6-dione
CID 3087871

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine?
The IUPAC name of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine (CID 164597880) is 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine.
What is the SMILES notation for 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine?
The canonical SMILES for 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine is Cc1ccc(C(OCCN2CCN(CCCC3=CCCC=C3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine?
The InChIKey is DFQRSJKLOAESBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O/c1-25-14-16-28(17-15-25)29(27-12-6-3-7-13-27)32-24-23-31-21-19-30(20-22-31)18-8-11-26-9-4-2-5-10-26/h3-4,6-7,9-10,12-17,29H,2,5,8,11,18-24H2,1H3.
What are the key properties of 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine?
1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine has a molecular weight of 430.64 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine is sourced from PubChem (CID 164597880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).