3-(3-methoxyphenyl)-N-methylpiperidin-1-amine

C13H20N2O — CID 139493045

IUPAC3-(3-methoxyphenyl)-N-methylpiperidin-1-amine
SMILESCNN1CCCC(c2cccc(OC)c2)C1
InChIInChI=1S/C13H20N2O/c1-14-15-8-4-6-12(10-15)11-5-3-7-13(9-11)16-2/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3
InChIKeyVTLXZOQYNKWPEL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.01
Rot. Bonds3

About 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine

3-(3-methoxyphenyl)-N-methylpiperidin-1-amine (PubChem CID 139493045) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-methylpiperidin-1-amine
PubChem CID139493045
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(3-methoxyphenyl)-N-methylpiperidin-1-amine
SMILESCNN1CCCC(c2cccc(OC)c2)C1
InChIInChI=1S/C13H20N2O/c1-14-15-8-4-6-12(10-15)11-5-3-7-13(9-11)16-2/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3
InChIKeyVTLXZOQYNKWPEL-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine (CID 139493045) is 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine is CNN1CCCC(c2cccc(OC)c2)C1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine?
The InChIKey is VTLXZOQYNKWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-15-8-4-6-12(10-15)11-5-3-7-13(9-11)16-2/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine?
3-(3-methoxyphenyl)-N-methylpiperidin-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-methylpiperidin-1-amine is sourced from PubChem (CID 139493045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).