2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine

C14H22N2O — CID 3838116

IUPAC2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyAJXUGVNIFNKCNF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine

2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine (PubChem CID 3838116) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine
PubChem CID3838116
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyAJXUGVNIFNKCNF-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine (CID 3838116) is 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine is COc1ccc(C(CN)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is AJXUGVNIFNKCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine?
2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 3838116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).