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

C12H19N3O — CID 126759844

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(CN2CCN(C)CC2)cn1
InChIInChI=1S/C12H19N3O/c1-14-5-7-15(8-6-14)10-11-3-4-12(16-2)13-9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyIMLKBJMAGOIOMK-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.84
Rot. Bonds3

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

1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine (PubChem CID 126759844) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
PubChem CID126759844
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(CN2CCN(C)CC2)cn1
InChIInChI=1S/C12H19N3O/c1-14-5-7-15(8-6-14)10-11-3-4-12(16-2)13-9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyIMLKBJMAGOIOMK-UHFFFAOYSA-N
XLogP0.84
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
CID 146626077
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 175649513
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
methyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 121249779
8-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine
CID 175650485
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
CID 114937568

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine (CID 126759844) is 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine is COc1ccc(CN2CCN(C)CC2)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
The InChIKey is IMLKBJMAGOIOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-5-7-15(8-6-14)10-11-3-4-12(16-2)13-9-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine?
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine has a molecular weight of 221.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 126759844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).