2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline

C27H35N5 — CID 72577401

IUPAC2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(CC2CCCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C27H35N5/c1-22-27(29-26-12-6-5-11-25(26)28-22)32-18-16-31(17-19-32)21-24-10-7-14-30(20-24)15-13-23-8-3-2-4-9-23/h2-6,8-9,11-12,24H,7,10,13-21H2,1H3
InChIKeyAHPOOMQFYFZZMD-UHFFFAOYSA-N
MW429.61 g/mol
LogP4.01
Rot. Bonds6

About 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline

2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline (PubChem CID 72577401) has the molecular formula C27H35N5 and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline
PubChem CID72577401
Molecular FormulaC27H35N5
Molecular Weight429.61 g/mol
Exact Mass429.29
IUPAC Name2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(CC2CCCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C27H35N5/c1-22-27(29-26-12-6-5-11-25(26)28-22)32-18-16-31(17-19-32)21-24-10-7-14-30(20-24)15-13-23-8-3-2-4-9-23/h2-6,8-9,11-12,24H,7,10,13-21H2,1H3
InChIKeyAHPOOMQFYFZZMD-UHFFFAOYSA-N
XLogP4.01
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549
2-methyl-3-[4-[[1-(1-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline;2-[4-[[1-(1-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]-1,8-naphthyridine
CID 69200473
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]methanamine
CID 45218202
4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
3-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-benzimidazol-2-one
CID 12972134
7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39796713
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline?
The IUPAC name of 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline (CID 72577401) is 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline is Cc1nc2ccccc2nc1N1CCN(CC2CCCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline?
The InChIKey is AHPOOMQFYFZZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5/c1-22-27(29-26-12-6-5-11-25(26)28-22)32-18-16-31(17-19-32)21-24-10-7-14-30(20-24)15-13-23-8-3-2-4-9-23/h2-6,8-9,11-12,24H,7,10,13-21H2,1H3.
What are the key properties of 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline?
2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline has a molecular weight of 429.61 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 72577401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).