3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride

C17H25Cl2N3 — CID 171278738

IUPAC3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H](C2CC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C17H23N3.2ClH/c1-19-12-15(14-4-2-3-5-16(14)19)17(13-6-7-13)20-10-8-18-9-11-20;;/h2-5,12-13,17-18H,6-11H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyIOUQGWJYOWDGII-RMRYJAPISA-N
MW342.31 g/mol
LogP3.38
Rot. Bonds3

About 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride

3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride (PubChem CID 171278738) has the molecular formula C17H25Cl2N3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride.

Molecular Properties

Compound Name3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
PubChem CID171278738
Molecular FormulaC17H25Cl2N3
Molecular Weight342.31 g/mol
Exact Mass341.14
IUPAC Name3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H](C2CC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C17H23N3.2ClH/c1-19-12-15(14-4-2-3-5-16(14)19)17(13-6-7-13)20-10-8-18-9-11-20;;/h2-5,12-13,17-18H,6-11H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyIOUQGWJYOWDGII-RMRYJAPISA-N
XLogP3.38
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride 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

3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278740
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278742
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole
CID 171278741
1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole
CID 171291370
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171274651
1-methyl-3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]indole;dihydrochloride
CID 171305371
1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
CID 95487496
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
CID 171292394
1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171292440
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The IUPAC name of 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride (CID 171278738) is 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride.
What is the SMILES notation for 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The canonical SMILES for 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride is Cl.Cl.Cn1cc([C@H](C2CC2)N2CCNCC2)c2ccccc21.
What is the InChIKey of 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
The InChIKey is IOUQGWJYOWDGII-RMRYJAPISA-N. The full InChI is InChI=1S/C17H23N3.2ClH/c1-19-12-15(14-4-2-3-5-16(14)19)17(13-6-7-13)20-10-8-18-9-11-20;;/h2-5,12-13,17-18H,6-11H2,1H3;2*1H/t17-;;/m0../s1.
What are the key properties of 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride?
3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride is sourced from PubChem (CID 171278738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).