1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine

C14H20N4 — CID 117174991

IUPAC1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
SMILESCn1cc(CN2CCNCC2)c2cc(N)ccc21
InChIInChI=1S/C14H20N4/c1-17-9-11(10-18-6-4-16-5-7-18)13-8-12(15)2-3-14(13)17/h2-3,8-9,16H,4-7,10,15H2,1H3
InChIKeyDGZIUGIFQXWLDV-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.17
Rot. Bonds2

About 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine

1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine (PubChem CID 117174991) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
PubChem CID117174991
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
SMILESCn1cc(CN2CCNCC2)c2cc(N)ccc21
InChIInChI=1S/C14H20N4/c1-17-9-11(10-18-6-4-16-5-7-18)13-8-12(15)2-3-14(13)17/h2-3,8-9,16H,4-7,10,15H2,1H3
InChIKeyDGZIUGIFQXWLDV-UHFFFAOYSA-N
XLogP1.17
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117175487
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine
CID 117175503
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 170792929
1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82666815

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine?
The IUPAC name of 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine (CID 117174991) is 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine.
What is the SMILES notation for 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine?
The canonical SMILES for 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine is Cn1cc(CN2CCNCC2)c2cc(N)ccc21.
What is the InChIKey of 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine?
The InChIKey is DGZIUGIFQXWLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-9-11(10-18-6-4-16-5-7-18)13-8-12(15)2-3-14(13)17/h2-3,8-9,16H,4-7,10,15H2,1H3.
What are the key properties of 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine?
1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine is sourced from PubChem (CID 117174991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).