3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine

C14H20N4 — CID 117181811

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine
SMILESCN1CCN(Cc2c[nH]c3c(N)cccc23)CC1
InChIInChI=1S/C14H20N4/c1-17-5-7-18(8-6-17)10-11-9-16-14-12(11)3-2-4-13(14)15/h2-4,9,16H,5-8,10,15H2,1H3
InChIKeyDSLGLXWDWFDFMG-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.50
Rot. Bonds2

About 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine

3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine (PubChem CID 117181811) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine
PubChem CID117181811
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine
SMILESCN1CCN(Cc2c[nH]c3c(N)cccc23)CC1
InChIInChI=1S/C14H20N4/c1-17-5-7-18(8-6-17)10-11-9-16-14-12(11)3-2-4-13(14)15/h2-4,9,16H,5-8,10,15H2,1H3
InChIKeyDSLGLXWDWFDFMG-UHFFFAOYSA-N
XLogP1.50
TPSA48.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
[3-(pyrrolidin-1-ylmethyl)-1H-indol-7-yl]methanamine
CID 84692922
3-(azepan-1-ylmethyl)-7-fluoro-1H-indole
CID 117181792
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
ethane;4-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 166485971
3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine
CID 117182017
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
CID 55030032
7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
CID 82501403
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 15031088

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine (CID 117181811) is 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine is CN1CCN(Cc2c[nH]c3c(N)cccc23)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine?
The InChIKey is DSLGLXWDWFDFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-5-7-18(8-6-17)10-11-9-16-14-12(11)3-2-4-13(14)15/h2-4,9,16H,5-8,10,15H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine?
3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine has a molecular weight of 244.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine is sourced from PubChem (CID 117181811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).