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

C17H25NO — CID 2914757

IUPAC1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one
SMILESCCC1CCCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO/c1-2-16-12-6-7-14-18(16)17(19)13-8-11-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3
InChIKeyDILNABHPCIRKMY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.80
Rot. Bonds5

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

1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one (PubChem CID 2914757) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one
PubChem CID2914757
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one
SMILESCCC1CCCCN1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO/c1-2-16-12-6-7-14-18(16)17(19)13-8-11-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3
InChIKeyDILNABHPCIRKMY-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one (CID 2914757) is 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one is CCC1CCCCN1C(=O)CCCc1ccccc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one?
The InChIKey is DILNABHPCIRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-16-12-6-7-14-18(16)17(19)13-8-11-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one?
1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 2914757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).