4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

C18H20N4 — CID 168861440

IUPAC4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
SMILESc1ccc(C2CNCCN2Cc2cccc3[nH]ccc23)nc1
InChIInChI=1S/C18H20N4/c1-2-8-20-17(5-1)18-12-19-10-11-22(18)13-14-4-3-6-16-15(14)7-9-21-16/h1-9,18-19,21H,10-13H2
InChIKeyNGOWRWKOKIXQML-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.71
Rot. Bonds3

About 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 168861440) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
PubChem CID168861440
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
SMILESc1ccc(C2CNCCN2Cc2cccc3[nH]ccc23)nc1
InChIInChI=1S/C18H20N4/c1-2-8-20-17(5-1)18-12-19-10-11-22(18)13-14-4-3-6-16-15(14)7-9-21-16/h1-9,18-19,21H,10-13H2
InChIKeyNGOWRWKOKIXQML-UHFFFAOYSA-N
XLogP2.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
CID 166267423
1-ethyl-2-pyridin-2-yl-1,4-diazepane
CID 82283196
1-[5-(1H-indol-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 131695390
6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996383
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
(1S,11R)-2-(1H-indol-4-ylmethyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199306
4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole (CID 168861440) is 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole is c1ccc(C2CNCCN2Cc2cccc3[nH]ccc23)nc1.
What is the InChIKey of 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is NGOWRWKOKIXQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-8-20-17(5-1)18-12-19-10-11-22(18)13-14-4-3-6-16-15(14)7-9-21-16/h1-9,18-19,21H,10-13H2.
What are the key properties of 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 292.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 168861440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).