3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine

C16H27N3O — CID 107394997

IUPAC3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H27N3O/c1-4-9-17-15-14(7-5-10-18-15)12-19-11-6-8-16(2,13-19)20-3/h5,7,10H,4,6,8-9,11-13H2,1-3H3,(H,17,18)
InChIKeyWNGIYIHXQWTCAA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.90
Rot. Bonds6

About 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine

3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 107394997) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID107394997
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H27N3O/c1-4-9-17-15-14(7-5-10-18-15)12-19-11-6-8-16(2,13-19)20-3/h5,7,10H,4,6,8-9,11-13H2,1-3H3,(H,17,18)
InChIKeyWNGIYIHXQWTCAA-UHFFFAOYSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine (CID 107394997) is 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN1CCCC(C)(OC)C1.
What is the InChIKey of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is WNGIYIHXQWTCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-17-15-14(7-5-10-18-15)12-19-11-6-8-16(2,13-19)20-3/h5,7,10H,4,6,8-9,11-13H2,1-3H3,(H,17,18).
What are the key properties of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 107394997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).