(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

C20H28ClN3O — CID 30726611

IUPAC(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1
InChIInChI=1S/C20H28ClN3O/c1-22-9-11-23(12-10-22)13-15(25)14-24-19-8-3-2-5-16(19)17-6-4-7-18(21)20(17)24/h4,6-7,15,25H,2-3,5,8-14H2,1H3/t15-/m1/s1
InChIKeyNAUNZADOQZNCQT-OAHLLOKOSA-N
MW361.92 g/mol
LogP2.78
Rot. Bonds4

About (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 30726611) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID30726611
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1
InChIInChI=1S/C20H28ClN3O/c1-22-9-11-23(12-10-22)13-15(25)14-24-19-8-3-2-5-16(19)17-6-4-7-18(21)20(17)24/h4,6-7,15,25H,2-3,5,8-14H2,1H3/t15-/m1/s1
InChIKeyNAUNZADOQZNCQT-OAHLLOKOSA-N
XLogP2.78
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 30726611) is (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1.
What is the InChIKey of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is NAUNZADOQZNCQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28ClN3O/c1-22-9-11-23(12-10-22)13-15(25)14-24-19-8-3-2-5-16(19)17-6-4-7-18(21)20(17)24/h4,6-7,15,25H,2-3,5,8-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 361.92 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 30726611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).