6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole

C17H25N3 — CID 171305318

IUPAC6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
SMILESCCC(C)[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C17H25N3/c1-3-13(2)17(20-10-8-18-9-11-20)15-5-4-14-6-7-19-16(14)12-15/h4-7,12-13,17-19H,3,8-11H2,1-2H3/t13?,17-/m0/s1
InChIKeyCUDCHJWZGXKLLR-RUINGEJQSA-N
MW271.41 g/mol
LogP3.16
Rot. Bonds4

About 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole

6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole (PubChem CID 171305318) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole.

Molecular Properties

Compound Name6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
PubChem CID171305318
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
SMILESCCC(C)[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C17H25N3/c1-3-13(2)17(20-10-8-18-9-11-20)15-5-4-14-6-7-19-16(14)12-15/h4-7,12-13,17-19H,3,8-11H2,1-2H3/t13?,17-/m0/s1
InChIKeyCUDCHJWZGXKLLR-RUINGEJQSA-N
XLogP3.16
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole 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

1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutyl]piperazine
CID 171305376
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171277880
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole?
The IUPAC name of 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole (CID 171305318) is 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole.
What is the SMILES notation for 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole?
The canonical SMILES for 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole is CCC(C)[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.
What is the InChIKey of 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole?
The InChIKey is CUDCHJWZGXKLLR-RUINGEJQSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-13(2)17(20-10-8-18-9-11-20)15-5-4-14-6-7-19-16(14)12-15/h4-7,12-13,17-19H,3,8-11H2,1-2H3/t13?,17-/m0/s1.
What are the key properties of 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole?
6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole has a molecular weight of 271.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole is sourced from PubChem (CID 171305318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).