1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole

C16H23N3 — CID 84636732

IUPAC1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
SMILESCc1cccc2c(CC3CNCCN3C)cn(C)c12
InChIInChI=1S/C16H23N3/c1-12-5-4-6-15-13(11-19(3)16(12)15)9-14-10-17-7-8-18(14)2/h4-6,11,14,17H,7-10H2,1-3H3
InChIKeyBRWHGOWTNFEOGX-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.93
Rot. Bonds2

About 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole

1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole (PubChem CID 84636732) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole.

Molecular Properties

Compound Name1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
PubChem CID84636732
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
SMILESCc1cccc2c(CC3CNCCN3C)cn(C)c12
InChIInChI=1S/C16H23N3/c1-12-5-4-6-15-13(11-19(3)16(12)15)9-14-10-17-7-8-18(14)2/h4-6,11,14,17H,7-10H2,1-3H3
InChIKeyBRWHGOWTNFEOGX-UHFFFAOYSA-N
XLogP1.93
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
2-bromo-7-methyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84646003
1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole
CID 116928367
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole
CID 117186191
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
2-bromo-7-ethyl-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84646611
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 116989841
N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
CID 115239622
1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole
CID 82664533
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole?
The IUPAC name of 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole (CID 84636732) is 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole.
What is the SMILES notation for 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole?
The canonical SMILES for 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole is Cc1cccc2c(CC3CNCCN3C)cn(C)c12.
What is the InChIKey of 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole?
The InChIKey is BRWHGOWTNFEOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-5-4-6-15-13(11-19(3)16(12)15)9-14-10-17-7-8-18(14)2/h4-6,11,14,17H,7-10H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole?
1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole has a molecular weight of 257.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole is sourced from PubChem (CID 84636732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).