2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one

C13H26N2O2 — CID 39347040

IUPAC2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(O)(CNC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)12(16)15-8-6-13(17,7-9-15)10-14-3/h11,14,17H,4-10H2,1-3H3
InChIKeyJDBDOJIQVQZWHX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds5

About 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one

2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 39347040) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID39347040
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(O)(CNC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)12(16)15-8-6-13(17,7-9-15)10-14-3/h11,14,17H,4-10H2,1-3H3
InChIKeyJDBDOJIQVQZWHX-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
CID 110818049
4-(methylaminomethyl)-1-pentylpiperidin-4-ol
CID 95441823
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
1-[4-hydroxy-4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 39243445
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
4-(2-ethylbutanoyl)piperazine-2,6-dione
CID 66084705
4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 39354945
1-[4-(2-ethylbutanoyl)piperazin-1-yl]pentane-1,4-dione
CID 108536740
1-(4,4-diethylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202240
(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 138016410
1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one
CID 113072769

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one (CID 39347040) is 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(O)(CNC)CC1.
What is the InChIKey of 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is JDBDOJIQVQZWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(5-2)12(16)15-8-6-13(17,7-9-15)10-14-3/h11,14,17H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one?
2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 39347040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).