4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine

C11H25N3O — CID 123581834

IUPAC4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine
SMILESCCOC1(CN(C)C)CCN(NC)CC1
InChIInChI=1S/C11H25N3O/c1-5-15-11(10-13(3)4)6-8-14(12-2)9-7-11/h12H,5-10H2,1-4H3
InChIKeyJTLBWVYKABNBOG-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.55
Rot. Bonds5

About 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine

4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine (PubChem CID 123581834) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine
PubChem CID123581834
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine
SMILESCCOC1(CN(C)C)CCN(NC)CC1
InChIInChI=1S/C11H25N3O/c1-5-15-11(10-13(3)4)6-8-14(12-2)9-7-11/h12H,5-10H2,1-4H3
InChIKeyJTLBWVYKABNBOG-UHFFFAOYSA-N
XLogP0.55
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine?
The IUPAC name of 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine (CID 123581834) is 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine is CCOC1(CN(C)C)CCN(NC)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine?
The InChIKey is JTLBWVYKABNBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-15-11(10-13(3)4)6-8-14(12-2)9-7-11/h12H,5-10H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine?
4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine has a molecular weight of 215.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-4-ethoxy-N-methylpiperidin-1-amine is sourced from PubChem (CID 123581834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).