[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine

C16H26N2O2 — CID 107160736

IUPAC[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
SMILESCOc1ccc(OCCN2CCC(C)(CN)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-16(13-17)7-9-18(10-8-16)11-12-20-15-5-3-14(19-2)4-6-15/h3-6H,7-13,17H2,1-2H3
InChIKeyAHGRQJHXRDAVGM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds6

About [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine

[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 107160736) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
PubChem CID107160736
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
SMILESCOc1ccc(OCCN2CCC(C)(CN)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-16(13-17)7-9-18(10-8-16)11-12-20-15-5-3-14(19-2)4-6-15/h3-6H,7-13,17H2,1-2H3
InChIKeyAHGRQJHXRDAVGM-UHFFFAOYSA-N
XLogP2.13
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine (CID 107160736) is [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine is COc1ccc(OCCN2CCC(C)(CN)CC2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is AHGRQJHXRDAVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(13-17)7-9-18(10-8-16)11-12-20-15-5-3-14(19-2)4-6-15/h3-6H,7-13,17H2,1-2H3.
What are the key properties of [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine?
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 107160736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).