2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

C24H35N3O — CID 174479394

IUPAC2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCCC1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C24H35N3O/c1-5-24(12-11-20-9-7-6-8-10-20)13-17-27(18-14-24)19-21-22(26-16-15-25-21)28-23(2,3)4/h6-10,15-16H,5,11-14,17-19H2,1-4H3
InChIKeyDYXUYUHNINPBNB-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.28
Rot. Bonds7

About 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 174479394) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID174479394
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCCC1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C24H35N3O/c1-5-24(12-11-20-9-7-6-8-10-20)13-17-27(18-14-24)19-21-22(26-16-15-25-21)28-23(2,3)4/h6-10,15-16H,5,11-14,17-19H2,1-4H3
InChIKeyDYXUYUHNINPBNB-UHFFFAOYSA-N
XLogP5.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine 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

2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
CID 174479392
2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
CID 23594828
1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine
CID 172523024
2-(2-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]azocan-5-yl]ethanone
CID 142816397
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
CID 22248088
1-methyl-3-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]thiourea
CID 22248194
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-thiadiazole
CID 135322739
tert-butyl 4-[(2-aminoanilino)methyl]-4-(2-phenylethyl)piperidine-1-carboxylate
CID 122417502
4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline
CID 135322521
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
2-chloro-4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenol
CID 162430253

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (CID 174479394) is 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is CCC1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is DYXUYUHNINPBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-5-24(12-11-20-9-7-6-8-10-20)13-17-27(18-14-24)19-21-22(26-16-15-25-21)28-23(2,3)4/h6-10,15-16H,5,11-14,17-19H2,1-4H3.
What are the key properties of 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 381.56 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 174479394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).