3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole

C26H33Cl2N3 — CID 72546780

IUPAC3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole
SMILESClc1ccc2c(c1)c1cc(Cl)ccc1n2CCCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C26H33Cl2N3/c27-21-7-9-25-23(17-21)24-18-22(28)8-10-26(24)31(25)12-4-11-29-13-15-30(16-14-29)19-20-5-2-1-3-6-20/h7-10,17-18,20H,1-6,11-16,19H2
InChIKeyATJWYCCWSMBFIB-UHFFFAOYSA-N
MW458.48 g/mol
LogP6.69
Rot. Bonds6

About 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole

3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole (PubChem CID 72546780) has the molecular formula C26H33Cl2N3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole.

Molecular Properties

Compound Name3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole
PubChem CID72546780
Molecular FormulaC26H33Cl2N3
Molecular Weight458.48 g/mol
Exact Mass457.21
IUPAC Name3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole
SMILESClc1ccc2c(c1)c1cc(Cl)ccc1n2CCCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C26H33Cl2N3/c27-21-7-9-25-23(17-21)24-18-22(28)8-10-26(24)31(25)12-4-11-29-13-15-30(16-14-29)19-20-5-2-1-3-6-20/h7-10,17-18,20H,1-6,11-16,19H2
InChIKeyATJWYCCWSMBFIB-UHFFFAOYSA-N
XLogP6.69
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole 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 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole?
The IUPAC name of 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole (CID 72546780) is 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole.
What is the SMILES notation for 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole?
The canonical SMILES for 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole is Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCCN1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole?
The InChIKey is ATJWYCCWSMBFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Cl2N3/c27-21-7-9-25-23(17-21)24-18-22(28)8-10-26(24)31(25)12-4-11-29-13-15-30(16-14-29)19-20-5-2-1-3-6-20/h7-10,17-18,20H,1-6,11-16,19H2.
What are the key properties of 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole?
3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole has a molecular weight of 458.48 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]carbazole is sourced from PubChem (CID 72546780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).