1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone

C15H30N2O2 — CID 62021216

IUPAC1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCCC1CCCCN1C(=O)CN(CCCO)C(C)C
InChIInChI=1S/C15H30N2O2/c1-4-14-8-5-6-10-17(14)15(19)12-16(13(2)3)9-7-11-18/h13-14,18H,4-12H2,1-3H3
InChIKeySKJRNYAAEHCWDQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.87
Rot. Bonds7

About 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone

1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (PubChem CID 62021216) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
PubChem CID62021216
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCCC1CCCCN1C(=O)CN(CCCO)C(C)C
InChIInChI=1S/C15H30N2O2/c1-4-14-8-5-6-10-17(14)15(19)12-16(13(2)3)9-7-11-18/h13-14,18H,4-12H2,1-3H3
InChIKeySKJRNYAAEHCWDQ-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (CID 62021216) is 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is CCC1CCCCN1C(=O)CN(CCCO)C(C)C.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The InChIKey is SKJRNYAAEHCWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-14-8-5-6-10-17(14)15(19)12-16(13(2)3)9-7-11-18/h13-14,18H,4-12H2,1-3H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone has a molecular weight of 270.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 62021216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).