2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine

C18H30N2O — CID 60916800

IUPAC2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCC1CCCCN1C(CN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-4-16-7-5-6-12-20(16)18(13-19)15-8-10-17(11-9-15)21-14(2)3/h8-11,14,16,18H,4-7,12-13,19H2,1-3H3
InChIKeyPLTAAWGCWWEBGR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds6

About 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine

2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 60916800) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID60916800
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCC1CCCCN1C(CN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-4-16-7-5-6-12-20(16)18(13-19)15-8-10-17(11-9-15)21-14(2)3/h8-11,14,16,18H,4-7,12-13,19H2,1-3H3
InChIKeyPLTAAWGCWWEBGR-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine (CID 60916800) is 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine is CCC1CCCCN1C(CN)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is PLTAAWGCWWEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-16-7-5-6-12-20(16)18(13-19)15-8-10-17(11-9-15)21-14(2)3/h8-11,14,16,18H,4-7,12-13,19H2,1-3H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine?
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 60916800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).