2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one

C13H25NO2 — CID 43417122

IUPAC2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11(4-2)13(16)14-9-7-12(15)8-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyWOYNLCWVZGHRQD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.19
Rot. Bonds5

About 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one

2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one (PubChem CID 43417122) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
PubChem CID43417122
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11(4-2)13(16)14-9-7-12(15)8-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyWOYNLCWVZGHRQD-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 56786895
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
CID 114960563
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 114498212
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 95629673
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one (CID 43417122) is 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one is CCCCC(CC)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one?
The InChIKey is WOYNLCWVZGHRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-6-11(4-2)13(16)14-9-7-12(15)8-10-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one?
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 43417122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).