1-[(2-methoxyphenyl)methyl]piperidin-4-amine

C13H20N2O — CID 12641839

IUPAC1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/C13H20N2O/c1-16-13-5-3-2-4-11(13)10-15-8-6-12(14)7-9-15/h2-5,12H,6-10,14H2,1H3
InChIKeyDVBRJIYUDLSVGV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]piperidin-4-amine

1-[(2-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 12641839) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID12641839
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/C13H20N2O/c1-16-13-5-3-2-4-11(13)10-15-8-6-12(14)7-9-15/h2-5,12H,6-10,14H2,1H3
InChIKeyDVBRJIYUDLSVGV-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine (CID 12641839) is 1-[(2-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]piperidin-4-amine is COc1ccccc1CN1CCC(N)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is DVBRJIYUDLSVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-5-3-2-4-11(13)10-15-8-6-12(14)7-9-15/h2-5,12H,6-10,14H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
1-[(2-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 12641839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).