1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C26H33Cl2N3O — CID 66742351

IUPAC1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C26H33Cl2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h6-9,14-15,19,22,32H,1-5,10-13,16-18H2
InChIKeyIVVOCKIRYPSHNU-UHFFFAOYSA-N
MW474.48 g/mol
LogP5.66
Rot. Bonds6

About 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 66742351) has the molecular formula C26H33Cl2N3O and a molecular weight of 474.48 g/mol. Its IUPAC name is 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID66742351
Molecular FormulaC26H33Cl2N3O
Molecular Weight474.48 g/mol
Exact Mass473.20
IUPAC Name1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C26H33Cl2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h6-9,14-15,19,22,32H,1-5,10-13,16-18H2
InChIKeyIVVOCKIRYPSHNU-UHFFFAOYSA-N
XLogP5.66
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol 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

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-(3,6-dichloro-9H-carbazol-9-yl)-3-((2-methoxyethyl)amino)propan-2-ol
CID 2920941
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
1-(3-Chloro-phenylamino)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol
CID 3103959
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-chlorophenyl)methanesulfonamide
CID 2887918
Cambridge id 5723280
CID 2864698
4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
CID 2903990
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
3,6-dichloro-9-(4-morpholinylmethyl)-9H-carbazole
CID 757828
1,3-di(9H-carbazol-9-yl)propan-2-ol
CID 1898613

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 66742351) is 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is OC(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is IVVOCKIRYPSHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Cl2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h6-9,14-15,19,22,32H,1-5,10-13,16-18H2.
What are the key properties of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 474.48 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 66742351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).