1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole

C16H23N3 — CID 116928367

IUPAC1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole
SMILESCN1CCNCC1CCc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-18-10-9-17-11-14(18)8-7-13-12-19(2)16-6-4-3-5-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyJVBXCYUTXKXPBU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.01
Rot. Bonds3

About 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole

1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole (PubChem CID 116928367) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole.

Molecular Properties

Compound Name1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole
PubChem CID116928367
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole
SMILESCN1CCNCC1CCc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-18-10-9-17-11-14(18)8-7-13-12-19(2)16-6-4-3-5-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyJVBXCYUTXKXPBU-UHFFFAOYSA-N
XLogP2.01
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
3-[(1-methylindol-3-yl)methyl]piperidin-4-one
CID 83488034
1-methyl-2-(2-naphthalen-2-ylethyl)piperazine
CID 116928404
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
3-(2-bromoethyl)-1-methylindole
CID 13153306
1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
CID 141427495
N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
CID 115239622
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
3-decyl-1-methylindole
CID 10802084
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole?
The IUPAC name of 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole (CID 116928367) is 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole.
What is the SMILES notation for 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole?
The canonical SMILES for 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole is CN1CCNCC1CCc1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole?
The InChIKey is JVBXCYUTXKXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-18-10-9-17-11-14(18)8-7-13-12-19(2)16-6-4-3-5-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole?
1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole has a molecular weight of 257.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole is sourced from PubChem (CID 116928367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).