1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine

C12H26N2O — CID 106740969

IUPAC1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCOCC(C)N(C)CC1CCNC(C)C1
InChIInChI=1S/C12H26N2O/c1-10-7-12(5-6-13-10)8-14(3)11(2)9-15-4/h10-13H,5-9H2,1-4H3
InChIKeyMSHCAORFXDMQOK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine

1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 106740969) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID106740969
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCOCC(C)N(C)CC1CCNC(C)C1
InChIInChI=1S/C12H26N2O/c1-10-7-12(5-6-13-10)8-14(3)11(2)9-15-4/h10-13H,5-9H2,1-4H3
InChIKeyMSHCAORFXDMQOK-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine (CID 106740969) is 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine is COCC(C)N(C)CC1CCNC(C)C1.
What is the InChIKey of 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is MSHCAORFXDMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-7-12(5-6-13-10)8-14(3)11(2)9-15-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine?
1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N-[(2-methylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 106740969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).