[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine

C16H24N4 — CID 117178747

IUPAC[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine
SMILESCCn1cc(CN2CCNCC2)c2ccc(CN)cc21
InChIInChI=1S/C16H24N4/c1-2-20-12-14(11-19-7-5-18-6-8-19)15-4-3-13(10-17)9-16(15)20/h3-4,9,12,18H,2,5-8,10-11,17H2,1H3
InChIKeyJOVADBIUVHTTBL-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.53
Rot. Bonds4

About [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine

[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine (PubChem CID 117178747) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine
PubChem CID117178747
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine
SMILESCCn1cc(CN2CCNCC2)c2ccc(CN)cc21
InChIInChI=1S/C16H24N4/c1-2-20-12-14(11-19-7-5-18-6-8-19)15-4-3-13(10-17)9-16(15)20/h3-4,9,12,18H,2,5-8,10-11,17H2,1H3
InChIKeyJOVADBIUVHTTBL-UHFFFAOYSA-N
XLogP1.53
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117175487
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
1-ethyl-6-fluoro-3-(pyrrolidin-1-ylmethyl)indole
CID 117178853
6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
CID 117178863
3-(azepan-1-ylmethyl)-6-chloro-1-ethylindole
CID 117178871
[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
CID 117178755
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
CID 65418728

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine?
The IUPAC name of [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine (CID 117178747) is [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine.
What is the SMILES notation for [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine?
The canonical SMILES for [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine is CCn1cc(CN2CCNCC2)c2ccc(CN)cc21.
What is the InChIKey of [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine?
The InChIKey is JOVADBIUVHTTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-20-12-14(11-19-7-5-18-6-8-19)15-4-3-13(10-17)9-16(15)20/h3-4,9,12,18H,2,5-8,10-11,17H2,1H3.
What are the key properties of [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine?
[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine has a molecular weight of 272.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine is sourced from PubChem (CID 117178747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).