2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C24H37ClN4O — CID 51902775

IUPAC2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C24H37ClN4O/c1-17(2)28-10-7-19(8-11-28)29-13-12-27(15-20(29)9-14-30)16-23-18(3)21-5-4-6-22(25)24(21)26-23/h4-6,17,19-20,26,30H,7-16H2,1-3H3/t20-/m1/s1
InChIKeyXMYCBSSSVCUQTD-HXUWFJFHSA-N
MW433.04 g/mol
LogP3.87
Rot. Bonds6

About 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 51902775) has the molecular formula C24H37ClN4O and a molecular weight of 433.04 g/mol. Its IUPAC name is 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID51902775
Molecular FormulaC24H37ClN4O
Molecular Weight433.04 g/mol
Exact Mass432.27
IUPAC Name2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C24H37ClN4O/c1-17(2)28-10-7-19(8-11-28)29-13-12-27(15-20(29)9-14-30)16-23-18(3)21-5-4-6-22(25)24(21)26-23/h4-6,17,19-20,26,30H,7-16H2,1-3H3/t20-/m1/s1
InChIKeyXMYCBSSSVCUQTD-HXUWFJFHSA-N
XLogP3.87
TPSA45.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.04
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol 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 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 51902775) is 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is XMYCBSSSVCUQTD-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H37ClN4O/c1-17(2)28-10-7-19(8-11-28)29-13-12-27(15-20(29)9-14-30)16-23-18(3)21-5-4-6-22(25)24(21)26-23/h4-6,17,19-20,26,30H,7-16H2,1-3H3/t20-/m1/s1.
What are the key properties of 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 433.04 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51902775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).