2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one

C14H27NO2 — CID 43422444

IUPAC2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H27NO2/c1-3-5-8-13(4-2)14(17)15-9-6-7-12(10-15)11-16/h12-13,16H,3-11H2,1-2H3
InChIKeyYJINCAQBIDWTJN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.43
Rot. Bonds6

About 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one

2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one (PubChem CID 43422444) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
PubChem CID43422444
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H27NO2/c1-3-5-8-13(4-2)14(17)15-9-6-7-12(10-15)11-16/h12-13,16H,3-11H2,1-2H3
InChIKeyYJINCAQBIDWTJN-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 62372858
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107023266
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
2-butoxy-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 71915017
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 95473768

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one (CID 43422444) is 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCCC(CO)C1.
What is the InChIKey of 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is YJINCAQBIDWTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-8-13(4-2)14(17)15-9-6-7-12(10-15)11-16/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 43422444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).