3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole

C26H28ClN3 — CID 2162916

IUPAC3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C26H28ClN3/c1-2-30-25-6-4-3-5-23(25)24-17-21(9-12-26(24)30)19-29-15-13-28(14-16-29)18-20-7-10-22(27)11-8-20/h3-12,17H,2,13-16,18-19H2,1H3
InChIKeyCAZCKDVLYUGUMO-UHFFFAOYSA-N
MW417.98 g/mol
LogP5.79
Rot. Bonds5

About 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole

3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole (PubChem CID 2162916) has the molecular formula C26H28ClN3 and a molecular weight of 417.98 g/mol. Its IUPAC name is 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole.

Molecular Properties

Compound Name3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole
PubChem CID2162916
Molecular FormulaC26H28ClN3
Molecular Weight417.98 g/mol
Exact Mass417.20
IUPAC Name3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C26H28ClN3/c1-2-30-25-6-4-3-5-23(25)24-17-21(9-12-26(24)30)19-29-15-13-28(14-16-29)18-20-7-10-22(27)11-8-20/h3-12,17H,2,13-16,18-19H2,1H3
InChIKeyCAZCKDVLYUGUMO-UHFFFAOYSA-N
XLogP5.79
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.98
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole 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

CID 22530
CID 22530
CID 42631003
CID 42631003
CID 4722579
CID 4722579
CID 456926
CID 456926
CID 30530
CID 30530
CID 135393502
CID 135393502
CID 21868720
CID 21868720
CID 44126269
CID 44126269
CID 46224879
CID 46224879
CID 3055941
CID 3055941
CID 23860
CID 23860
CID 1745029
CID 1745029

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole?
The IUPAC name of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole (CID 2162916) is 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole.
What is the SMILES notation for 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole?
The canonical SMILES for 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole?
The InChIKey is CAZCKDVLYUGUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3/c1-2-30-25-6-4-3-5-23(25)24-17-21(9-12-26(24)30)19-29-15-13-28(14-16-29)18-20-7-10-22(27)11-8-20/h3-12,17H,2,13-16,18-19H2,1H3.
What are the key properties of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole?
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole has a molecular weight of 417.98 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole is sourced from PubChem (CID 2162916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).