4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine

C12H19N3OS — CID 146626077

IUPAC4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
SMILESCOc1ccc(CN2CCN(S)C(C)C2)cn1
InChIInChI=1S/C12H19N3OS/c1-10-8-14(5-6-15(10)17)9-11-3-4-12(16-2)13-7-11/h3-4,7,10,17H,5-6,8-9H2,1-2H3
InChIKeyDCYANIMNSUZYIV-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.44
Rot. Bonds3

About 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine

4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine (PubChem CID 146626077) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine.

Molecular Properties

Compound Name4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
PubChem CID146626077
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
SMILESCOc1ccc(CN2CCN(S)C(C)C2)cn1
InChIInChI=1S/C12H19N3OS/c1-10-8-14(5-6-15(10)17)9-11-3-4-12(16-2)13-7-11/h3-4,7,10,17H,5-6,8-9H2,1-2H3
InChIKeyDCYANIMNSUZYIV-UHFFFAOYSA-N
XLogP1.44
TPSA28.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine 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

1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
(8aS)-7-[(6-methoxy-3-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75537041
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-propylpiperidin-4-amine
CID 62992462
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 95107248
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
(2R)-4-[(6-methoxy-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 97045083
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 175649513
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
(8aR)-7-[(6-methoxy-3-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368683

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine?
The IUPAC name of 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine (CID 146626077) is 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine.
What is the SMILES notation for 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine?
The canonical SMILES for 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine is COc1ccc(CN2CCN(S)C(C)C2)cn1.
What is the InChIKey of 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine?
The InChIKey is DCYANIMNSUZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10-8-14(5-6-15(10)17)9-11-3-4-12(16-2)13-7-11/h3-4,7,10,17H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine?
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine has a molecular weight of 253.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine is sourced from PubChem (CID 146626077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).