1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine

C12H26N2O — CID 79406409

IUPAC1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine
SMILESCOCC(C)CN1CCC(N)C(C)C1C
InChIInChI=1S/C12H26N2O/c1-9(8-15-4)7-14-6-5-12(13)10(2)11(14)3/h9-12H,5-8,13H2,1-4H3
InChIKeyBNDZAVNPADMHND-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds4

About 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine

1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79406409) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine
PubChem CID79406409
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine
SMILESCOCC(C)CN1CCC(N)C(C)C1C
InChIInChI=1S/C12H26N2O/c1-9(8-15-4)7-14-6-5-12(13)10(2)11(14)3/h9-12H,5-8,13H2,1-4H3
InChIKeyBNDZAVNPADMHND-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine (CID 79406409) is 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine is COCC(C)CN1CCC(N)C(C)C1C.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is BNDZAVNPADMHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(8-15-4)7-14-6-5-12(13)10(2)11(14)3/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine?
1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79406409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).