1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine

C23H34N2O — CID 140578547

IUPAC1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CC3CCCC4C5CCCCC5OC34)CC2)cc1
InChIInChI=1S/C23H34N2O/c1-2-8-19(9-3-1)25-15-13-24(14-16-25)17-18-7-6-11-21-20-10-4-5-12-22(20)26-23(18)21/h1-3,8-9,18,20-23H,4-7,10-17H2
InChIKeyUSAWZWGOXVKYRE-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.18
Rot. Bonds3

About 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine

1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine (PubChem CID 140578547) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine
PubChem CID140578547
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CC3CCCC4C5CCCCC5OC34)CC2)cc1
InChIInChI=1S/C23H34N2O/c1-2-8-19(9-3-1)25-15-13-24(14-16-25)17-18-7-6-11-21-20-10-4-5-12-22(20)26-23(18)21/h1-3,8-9,18,20-23H,4-7,10-17H2
InChIKeyUSAWZWGOXVKYRE-UHFFFAOYSA-N
XLogP4.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine?
The IUPAC name of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine (CID 140578547) is 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine is c1ccc(N2CCN(CC3CCCC4C5CCCCC5OC34)CC2)cc1.
What is the InChIKey of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine?
The InChIKey is USAWZWGOXVKYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-2-8-19(9-3-1)25-15-13-24(14-16-25)17-18-7-6-11-21-20-10-4-5-12-22(20)26-23(18)21/h1-3,8-9,18,20-23H,4-7,10-17H2.
What are the key properties of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine?
1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine has a molecular weight of 354.54 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine is sourced from PubChem (CID 140578547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).