2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole

C24H30N4 — CID 141307203

IUPAC2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole
SMILESC1=C2c3ccccc3NN2CCN1CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H30N4/c1-2-6-20(7-3-1)10-13-26-14-11-21(12-15-26)18-27-16-17-28-24(19-27)22-8-4-5-9-23(22)25-28/h1-9,19,21,25H,10-18H2
InChIKeySVLNLJZJFLGSNL-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.90
Rot. Bonds5

About 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole

2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole (PubChem CID 141307203) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole.

Molecular Properties

Compound Name2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole
PubChem CID141307203
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole
SMILESC1=C2c3ccccc3NN2CCN1CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H30N4/c1-2-6-20(7-3-1)10-13-26-14-11-21(12-15-26)18-27-16-17-28-24(19-27)22-8-4-5-9-23(22)25-28/h1-9,19,21,25H,10-18H2
InChIKeySVLNLJZJFLGSNL-UHFFFAOYSA-N
XLogP3.90
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1,3-dihydroindazole
CID 10308519
1-[5-[8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine
CID 20469872
2-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindazole
CID 21997879
1-[5-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]pentyl]-2-methylhydrazine
CID 22820791
2-[1-(2-Ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole
CID 70491647
6-Fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole
CID 70491648
(5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-(3-fluoroanilino)-oxoazanium
CID 123206849
1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole
CID 141012844
1-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methyl-3H-indazole
CID 141206103
2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole
CID 145834296
1-[4-Fluoro-2-[1-(2-methylpiperazin-1-yl)ethyl]phenyl]-2-phenylhydrazine
CID 155756323
N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine
CID 174391747

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole?
The IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole (CID 141307203) is 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole.
What is the SMILES notation for 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole?
The canonical SMILES for 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole is C1=C2c3ccccc3NN2CCN1CC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole?
The InChIKey is SVLNLJZJFLGSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-2-6-20(7-3-1)10-13-26-14-11-21(12-15-26)18-27-16-17-28-24(19-27)22-8-4-5-9-23(22)25-28/h1-9,19,21,25H,10-18H2.
What are the key properties of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole?
2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole has a molecular weight of 374.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,6-dihydro-3H-pyrazino[1,2-b]indazole is sourced from PubChem (CID 141307203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).