1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine

C11H22N2O — CID 107395822

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H22N2O/c1-4-6-10(12)13-8-5-7-11(2,9-13)14-3/h12H,4-9H2,1-3H3/b12-10+
InChIKeyNBLHOFMNUXELGD-ZRDIBKRKSA-N
MW198.31 g/mol
LogP2.26
Rot. Bonds3

About 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine

1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine (PubChem CID 107395822) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine
PubChem CID107395822
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H22N2O/c1-4-6-10(12)13-8-5-7-11(2,9-13)14-3/h12H,4-9H2,1-3H3/b12-10+
InChIKeyNBLHOFMNUXELGD-ZRDIBKRKSA-N
XLogP2.26
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-Methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine
CID 177326169
3,3,3-Trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 107392944
1-(3-Methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine
CID 178004292
1-(2-Methoxyethyl)piperidin-2-imine
CID 61523235
1-[2-(3-Methylbutoxy)ethyl]piperidin-2-imine
CID 61882571
1-(2-Butoxyethyl)piperidin-2-imine
CID 61882969
1-(3-Propoxypiperidin-1-yl)ethanimine
CID 63173417
1-(3-Ethoxypiperidin-1-yl)ethanimine
CID 63173420
1-(2,2-Dimethylmorpholin-4-yl)butan-1-imine
CID 63176048
Cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine
CID 63176106
1-(3-Propoxypiperidin-1-yl)propan-1-imine
CID 63177310
1-(3-Propoxypiperidin-1-yl)butan-1-imine
CID 63177311

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine (CID 107395822) is 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCCC(C)(OC)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine?
The InChIKey is NBLHOFMNUXELGD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-10(12)13-8-5-7-11(2,9-13)14-3/h12H,4-9H2,1-3H3/b12-10+.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine?
1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine has a molecular weight of 198.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-imine is sourced from PubChem (CID 107395822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).