1-(4-ethylpiperidin-1-yl)octan-1-one

C15H29NO — CID 166490088

IUPAC1-(4-ethylpiperidin-1-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CCC(CC)CC1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-15(17)16-12-10-14(4-2)11-13-16/h14H,3-13H2,1-2H3
InChIKeySMOCQNCKPNJQME-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.00
Rot. Bonds7

About 1-(4-ethylpiperidin-1-yl)octan-1-one

1-(4-ethylpiperidin-1-yl)octan-1-one (PubChem CID 166490088) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)octan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)octan-1-one
PubChem CID166490088
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(4-ethylpiperidin-1-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CCC(CC)CC1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-15(17)16-12-10-14(4-2)11-13-16/h14H,3-13H2,1-2H3
InChIKeySMOCQNCKPNJQME-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-bromopiperidin-1-yl)decan-1-one
CID 80661862
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
7-amino-1-(4-ethylazepan-1-yl)heptan-1-one;hydrochloride
CID 119794873
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
1-(4-ethylpiperidin-1-yl)hex-5-yn-1-one
CID 89040804
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)octan-1-one?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)octan-1-one (CID 166490088) is 1-(4-ethylpiperidin-1-yl)octan-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)octan-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)octan-1-one is CCCCCCCC(=O)N1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)octan-1-one?
The InChIKey is SMOCQNCKPNJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-6-7-8-9-15(17)16-12-10-14(4-2)11-13-16/h14H,3-13H2,1-2H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)octan-1-one?
1-(4-ethylpiperidin-1-yl)octan-1-one has a molecular weight of 239.40 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)octan-1-one is sourced from PubChem (CID 166490088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).