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

C12H23NO2 — CID 43429060

IUPAC2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCCCC1CO
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)12(15)13-8-6-5-7-11(13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyLEBIMDXVHTZGOR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.80
Rot. Bonds4

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

2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one (PubChem CID 43429060) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
PubChem CID43429060
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCCCC1CO
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)12(15)13-8-6-5-7-11(13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyLEBIMDXVHTZGOR-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897379
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107217982
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
1-[2-(hydroxymethyl)piperidin-1-yl]-2-phenoxybutan-1-one
CID 42891022
1-[2-(chloromethyl)piperidin-1-yl]-2-propylpentan-1-one
CID 82988038
2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
CID 64611265
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one (CID 43429060) is 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCCCC1CO.
What is the InChIKey of 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one?
The InChIKey is LEBIMDXVHTZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(4-2)12(15)13-8-6-5-7-11(13)9-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one?
2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 43429060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).