3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride

C17H25Cl2N3 — CID 171285009

IUPAC3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2c([C@@H](C3CCC3)N3CCNCC3)c[nH]c2c1
InChIInChI=1S/C17H23N3.2ClH/c1-2-7-16-14(6-1)15(12-19-16)17(13-4-3-5-13)20-10-8-18-9-11-20;;/h1-2,6-7,12-13,17-19H,3-5,8-11H2;2*1H/t17-;;/m1../s1
InChIKeyQZKNNTUNRZWTKH-ZEECNFPPSA-N
MW342.31 g/mol
LogP3.76
Rot. Bonds3

About 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride

3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride (PubChem CID 171285009) has the molecular formula C17H25Cl2N3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
PubChem CID171285009
Molecular FormulaC17H25Cl2N3
Molecular Weight342.31 g/mol
Exact Mass341.14
IUPAC Name3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2c([C@@H](C3CCC3)N3CCNCC3)c[nH]c2c1
InChIInChI=1S/C17H23N3.2ClH/c1-2-7-16-14(6-1)15(12-19-16)17(13-4-3-5-13)20-10-8-18-9-11-20;;/h1-2,6-7,12-13,17-19H,3-5,8-11H2;2*1H/t17-;;/m1../s1
InChIKeyQZKNNTUNRZWTKH-ZEECNFPPSA-N
XLogP3.76
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole
CID 110453205
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171290946
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
CID 171292394
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278740
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278742
1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride
CID 171287811
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171285012
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
The IUPAC name of 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride (CID 171285009) is 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
The canonical SMILES for 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride is Cl.Cl.c1ccc2c([C@@H](C3CCC3)N3CCNCC3)c[nH]c2c1.
What is the InChIKey of 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
The InChIKey is QZKNNTUNRZWTKH-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H23N3.2ClH/c1-2-7-16-14(6-1)15(12-19-16)17(13-4-3-5-13)20-10-8-18-9-11-20;;/h1-2,6-7,12-13,17-19H,3-5,8-11H2;2*1H/t17-;;/m1../s1.
What are the key properties of 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride?
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171285009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).