3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine

C20H24N4 — CID 18894

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(CN3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C20H24N4/c21-18-6-7-20-19(12-18)17(13-22-20)15-24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13,22H,8-11,14-15,21H2
InChIKeyFOXCFIPZINDAQU-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.07
Rot. Bonds4

About 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine

3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine (PubChem CID 18894) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
PubChem CID18894
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(CN3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C20H24N4/c21-18-6-7-20-19(12-18)17(13-22-20)15-24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13,22H,8-11,14-15,21H2
InChIKeyFOXCFIPZINDAQU-UHFFFAOYSA-N
XLogP3.07
TPSA48.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.07
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

3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 17367071
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
CID 19752560
benzyl 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352
5-amino-2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
CID 20568894
3-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 90486114
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride
CID 130338873
3-[2-(4-benzylpiperazin-1-yl)ethyl]aniline
CID 28720911

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine (CID 18894) is 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine is Nc1ccc2[nH]cc(CN3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine?
The InChIKey is FOXCFIPZINDAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c21-18-6-7-20-19(12-18)17(13-22-20)15-24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13,22H,8-11,14-15,21H2.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine?
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine has a molecular weight of 320.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine is sourced from PubChem (CID 18894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).