1-[(2-methoxy-3-pyridinyl)methyl]piperazine

C11H17N3O — CID 22032016

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]piperazine
SMILESCOc1ncccc1CN1CCNCC1
InChIInChI=1S/C11H17N3O/c1-15-11-10(3-2-4-13-11)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3
InChIKeyLEYMCHYWLLFNIA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.50
Rot. Bonds3

About 1-[(2-methoxy-3-pyridinyl)methyl]piperazine

1-[(2-methoxy-3-pyridinyl)methyl]piperazine (PubChem CID 22032016) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]piperazine
PubChem CID22032016
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]piperazine
SMILESCOc1ncccc1CN1CCNCC1
InChIInChI=1S/C11H17N3O/c1-15-11-10(3-2-4-13-11)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3
InChIKeyLEYMCHYWLLFNIA-UHFFFAOYSA-N
XLogP0.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83896731
1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
CID 138472326
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
CID 82701884
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
7-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404757

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]piperazine (CID 22032016) is 1-[(2-methoxy-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]piperazine is COc1ncccc1CN1CCNCC1.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]piperazine?
The InChIKey is LEYMCHYWLLFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-11-10(3-2-4-13-11)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]piperazine?
1-[(2-methoxy-3-pyridinyl)methyl]piperazine has a molecular weight of 207.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 22032016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).