2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol

C19H29N3O — CID 23723244

IUPAC2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)n1cc(CN2CCN(C)C(CCO)C2)c2ccccc21
InChIInChI=1S/C19H29N3O/c1-15(2)22-13-16(18-6-4-5-7-19(18)22)12-21-10-9-20(3)17(14-21)8-11-23/h4-7,13,15,17,23H,8-12,14H2,1-3H3
InChIKeyNUHSFPCVQZCFES-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.72
Rot. Bonds5

About 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol

2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723244) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID23723244
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)n1cc(CN2CCN(C)C(CCO)C2)c2ccccc21
InChIInChI=1S/C19H29N3O/c1-15(2)22-13-16(18-6-4-5-7-19(18)22)12-21-10-9-20(3)17(14-21)8-11-23/h4-7,13,15,17,23H,8-12,14H2,1-3H3
InChIKeyNUHSFPCVQZCFES-UHFFFAOYSA-N
XLogP2.72
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]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-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol (CID 23723244) is 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol is CC(C)n1cc(CN2CCN(C)C(CCO)C2)c2ccccc21.
What is the InChIKey of 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is NUHSFPCVQZCFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(2)22-13-16(18-6-4-5-7-19(18)22)12-21-10-9-20(3)17(14-21)8-11-23/h4-7,13,15,17,23H,8-12,14H2,1-3H3.
What are the key properties of 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 315.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).