2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine

C18H23N3O — CID 95833193

IUPAC2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
SMILESCOc1ccc(C)cc1CN1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C18H23N3O/c1-14-5-6-18(22-2)16(10-14)13-21-9-3-4-15(12-21)17-11-19-7-8-20-17/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyKQWIQVJTWDYNQC-OAHLLOKOSA-N
MW297.40 g/mol
LogP3.17
Rot. Bonds4

About 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine

2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine (PubChem CID 95833193) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
PubChem CID95833193
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
SMILESCOc1ccc(C)cc1CN1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C18H23N3O/c1-14-5-6-18(22-2)16(10-14)13-21-9-3-4-15(12-21)17-11-19-7-8-20-17/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyKQWIQVJTWDYNQC-OAHLLOKOSA-N
XLogP3.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]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-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
CID 124965345
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
4-(difluoromethyl)-6-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 110218683
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124956873
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
CID 131924193
N-[2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95834980
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine (CID 95833193) is 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine is COc1ccc(C)cc1CN1CCC[C@@H](c2cnccn2)C1.
What is the InChIKey of 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is KQWIQVJTWDYNQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-5-6-18(22-2)16(10-14)13-21-9-3-4-15(12-21)17-11-19-7-8-20-17/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine?
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 297.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 95833193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).