1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine

C12H17N3O — CID 62995548

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(OC)nc1
InChIInChI=1S/C12H17N3O/c1-16-12-6-5-10(8-14-12)9-15-7-3-2-4-11(15)13/h5-6,8,13H,2-4,7,9H2,1H3/b13-11+
InChIKeyKFVXGGAMAVVKPA-ACCUITESSA-N
MW219.29 g/mol
LogP2.05
Rot. Bonds3

About 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine

1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine (PubChem CID 62995548) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine
PubChem CID62995548
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(OC)nc1
InChIInChI=1S/C12H17N3O/c1-16-12-6-5-10(8-14-12)9-15-7-3-2-4-11(15)13/h5-6,8,13H,2-4,7,9H2,1H3/b13-11+
InChIKeyKFVXGGAMAVVKPA-ACCUITESSA-N
XLogP2.05
TPSA49.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
CID 62992277
1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
CID 62881665
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
CID 77089464
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 55140549
3-bromo-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 63789999
1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-imine
CID 62307701
1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
CID 106007900
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
CID 146626077
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine (CID 62995548) is 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine is [H]/N=C1\CCCCN1Cc1ccc(OC)nc1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine?
The InChIKey is KFVXGGAMAVVKPA-ACCUITESSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-12-6-5-10(8-14-12)9-15-7-3-2-4-11(15)13/h5-6,8,13H,2-4,7,9H2,1H3/b13-11+.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine?
1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine has a molecular weight of 219.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine is sourced from PubChem (CID 62995548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).