2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine

C20H24N4 — CID 18993057

IUPAC2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
SMILESNC(CN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccc1
InChIInChI=1S/C20H24N4/c21-18(16-5-2-1-3-6-16)15-23-11-13-24(14-12-23)20-8-4-7-19-17(20)9-10-22-19/h1-10,18,22H,11-15,21H2
InChIKeyJFURDIQHGRZZQA-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine

2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine (PubChem CID 18993057) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
PubChem CID18993057
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
SMILESNC(CN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccc1
InChIInChI=1S/C20H24N4/c21-18(16-5-2-1-3-6-16)15-23-11-13-24(14-12-23)20-8-4-7-19-17(20)9-10-22-19/h1-10,18,22H,11-15,21H2
InChIKeyJFURDIQHGRZZQA-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522
2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3-phenyl-1H-indole
CID 139991042
(2S)-1-(8-azabicyclo[3.2.1]octan-8-yl)-4-[4-(1H-indol-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 57076352
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
4-[4-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
CID 10294734
hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium
CID 143933193
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562
2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
CID 19610469
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 19694155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine?
The IUPAC name of 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine (CID 18993057) is 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine?
The canonical SMILES for 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine is NC(CN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine?
The InChIKey is JFURDIQHGRZZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c21-18(16-5-2-1-3-6-16)15-23-11-13-24(14-12-23)20-8-4-7-19-17(20)9-10-22-19/h1-10,18,22H,11-15,21H2.
What are the key properties of 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine?
2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine has a molecular weight of 320.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine is sourced from PubChem (CID 18993057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).