4-(4-ethylpiperidin-1-yl)butan-2-one

C11H21NO — CID 20686954

IUPAC4-(4-ethylpiperidin-1-yl)butan-2-one
SMILESCCC1CCN(CCC(C)=O)CC1
InChIInChI=1S/C11H21NO/c1-3-11-5-8-12(9-6-11)7-4-10(2)13/h11H,3-9H2,1-2H3
InChIKeyZAHKWKDYCQGKSL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds4

About 4-(4-ethylpiperidin-1-yl)butan-2-one

4-(4-ethylpiperidin-1-yl)butan-2-one (PubChem CID 20686954) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)butan-2-one
PubChem CID20686954
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(4-ethylpiperidin-1-yl)butan-2-one
SMILESCCC1CCN(CCC(C)=O)CC1
InChIInChI=1S/C11H21NO/c1-3-11-5-8-12(9-6-11)7-4-10(2)13/h11H,3-9H2,1-2H3
InChIKeyZAHKWKDYCQGKSL-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
CID 178000200
5-(4-ethylpiperidin-1-yl)pentanehydrazide
CID 63578403
2-(4-ethylpiperidin-1-yl)acetamide
CID 23381133
methyl 3-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688532
4-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453593

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)butan-2-one?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)butan-2-one (CID 20686954) is 4-(4-ethylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)butan-2-one is CCC1CCN(CCC(C)=O)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)butan-2-one?
The InChIKey is ZAHKWKDYCQGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-11-5-8-12(9-6-11)7-4-10(2)13/h11H,3-9H2,1-2H3.
What are the key properties of 4-(4-ethylpiperidin-1-yl)butan-2-one?
4-(4-ethylpiperidin-1-yl)butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 20686954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).