1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine

C16H27N3O — CID 115304899

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ncc(C)c(OC)c2C)CC1
InChIInChI=1S/C16H27N3O/c1-12-10-18-14(13(2)15(12)20-5)11-19-8-6-16(3,17-4)7-9-19/h10,17H,6-9,11H2,1-5H3
InChIKeyQEQOZUZGMRHMON-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.28
Rot. Bonds4

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304899) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304899
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ncc(C)c(OC)c2C)CC1
InChIInChI=1S/C16H27N3O/c1-12-10-18-14(13(2)15(12)20-5)11-19-8-6-16(3,17-4)7-9-19/h10,17H,6-9,11H2,1-5H3
InChIKeyQEQOZUZGMRHMON-UHFFFAOYSA-N
XLogP2.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115304899) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2ncc(C)c(OC)c2C)CC1.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is QEQOZUZGMRHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-10-18-14(13(2)15(12)20-5)11-19-8-6-16(3,17-4)7-9-19/h10,17H,6-9,11H2,1-5H3.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).