N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C25H32N4 — CID 23470284

IUPACN,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3c(CN4CCN(c5ccccc5)CC4)cccc3c2C1
InChIInChI=1S/C25H32N4/c1-27(2)21-11-12-24-23(17-21)22-10-6-7-19(25(22)26-24)18-28-13-15-29(16-14-28)20-8-4-3-5-9-20/h3-10,21,26H,11-18H2,1-2H3
InChIKeyFUHDCWQFZWSAEM-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.91
Rot. Bonds4

About N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 23470284) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID23470284
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC NameN,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3c(CN4CCN(c5ccccc5)CC4)cccc3c2C1
InChIInChI=1S/C25H32N4/c1-27(2)21-11-12-24-23(17-21)22-10-6-7-19(25(22)26-24)18-28-13-15-29(16-14-28)20-8-4-3-5-9-20/h3-10,21,26H,11-18H2,1-2H3
InChIKeyFUHDCWQFZWSAEM-UHFFFAOYSA-N
XLogP3.91
TPSA25.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine 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 N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 23470284) is N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CN(C)C1CCc2[nH]c3c(CN4CCN(c5ccccc5)CC4)cccc3c2C1.
What is the InChIKey of N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is FUHDCWQFZWSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-27(2)21-11-12-24-23(17-21)22-10-6-7-19(25(22)26-24)18-28-13-15-29(16-14-28)20-8-4-3-5-9-20/h3-10,21,26H,11-18H2,1-2H3.
What are the key properties of N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 388.56 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 23470284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).