N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine

C21H26N4 — CID 172594297

IUPACN-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESc1ccc(N2CCN(CCNCc3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H26N4/c1-2-7-20(8-3-1)25-14-12-24(13-15-25)11-10-22-17-19-16-18-6-4-5-9-21(18)23-19/h1-9,16,22-23H,10-15,17H2
InChIKeyHUWUJRWPWDFWTI-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.08
Rot. Bonds6

About N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine

N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine (PubChem CID 172594297) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine
PubChem CID172594297
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESc1ccc(N2CCN(CCNCc3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H26N4/c1-2-7-20(8-3-1)25-14-12-24(13-15-25)11-10-22-17-19-16-18-6-4-5-9-21(18)23-19/h1-9,16,22-23H,10-15,17H2
InChIKeyHUWUJRWPWDFWTI-UHFFFAOYSA-N
XLogP3.08
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
CID 76995991
N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 125481816
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
5-isocyano-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole
CID 87765518
1-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-4-(1H-indol-2-ylmethylamino)butan-2-ol
CID 145370719
1-[3-[3,5-bis[(1H-indol-2-ylmethylamino)methyl]phenyl]-5-[(1H-indol-2-ylmethylamino)methyl]phenyl]-N-(1H-indol-2-ylmethyl)methanamine
CID 150046479
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
CID 22576547
N-(1H-indol-2-ylmethyl)formamide
CID 54534530
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939089
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine (CID 172594297) is N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine is c1ccc(N2CCN(CCNCc3cc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The InChIKey is HUWUJRWPWDFWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-2-7-20(8-3-1)25-14-12-24(13-15-25)11-10-22-17-19-16-18-6-4-5-9-21(18)23-19/h1-9,16,22-23H,10-15,17H2.
What are the key properties of N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine has a molecular weight of 334.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 172594297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).