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

C15H22N4 — CID 117175487

IUPAC1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
SMILESCCn1cc(CN2CCNCC2)c2cc(N)ccc21
InChIInChI=1S/C15H22N4/c1-2-19-11-12(10-18-7-5-17-6-8-18)14-9-13(16)3-4-15(14)19/h3-4,9,11,17H,2,5-8,10,16H2,1H3
InChIKeyIPUSTVDFAAXVJL-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.65
Rot. Bonds3

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

1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine (PubChem CID 117175487) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
PubChem CID117175487
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
SMILESCCn1cc(CN2CCNCC2)c2cc(N)ccc21
InChIInChI=1S/C15H22N4/c1-2-19-11-12(10-18-7-5-17-6-8-18)14-9-13(16)3-4-15(14)19/h3-4,9,11,17H,2,5-8,10,16H2,1H3
InChIKeyIPUSTVDFAAXVJL-UHFFFAOYSA-N
XLogP1.65
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.65
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

1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
1-ethyl-3-[(4-methylpiperazin-1-yl)methyl]indol-5-amine
CID 117175503
1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117174991
[1-ethyl-3-(piperazin-1-ylmethyl)indol-6-yl]methanamine
CID 117178747
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
1-ethyl-3-(propan-2-yloxymethyl)indol-5-amine
CID 117175669
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
CID 65418728
[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91910139
1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
CID 117175552

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine?
The IUPAC name of 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine (CID 117175487) is 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine.
What is the SMILES notation for 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine?
The canonical SMILES for 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine is CCn1cc(CN2CCNCC2)c2cc(N)ccc21.
What is the InChIKey of 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine?
The InChIKey is IPUSTVDFAAXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-19-11-12(10-18-7-5-17-6-8-18)14-9-13(16)3-4-15(14)19/h3-4,9,11,17H,2,5-8,10,16H2,1H3.
What are the key properties of 1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine?
1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 1.65, 3 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-5-amine is sourced from PubChem (CID 117175487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).