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

C17H25NO2 — CID 2914939

IUPAC1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
SMILESCCC1CCCCN1C(=O)CCCOc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-15-9-6-7-13-18(15)17(19)12-8-14-20-16-10-4-3-5-11-16/h3-5,10-11,15H,2,6-9,12-14H2,1H3
InChIKeyCQKLCOSRPQDKNC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.64
Rot. Bonds6

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

1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one (PubChem CID 2914939) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
PubChem CID2914939
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
SMILESCCC1CCCCN1C(=O)CCCOc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-15-9-6-7-13-18(15)17(19)12-8-14-20-16-10-4-3-5-11-16/h3-5,10-11,15H,2,6-9,12-14H2,1H3
InChIKeyCQKLCOSRPQDKNC-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 82354475
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 3613562
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
4-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 5181797
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 80676124
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-8-phenoxyoctane-1,5-dione
CID 158776453

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one (CID 2914939) is 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one is CCC1CCCCN1C(=O)CCCOc1ccccc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one?
The InChIKey is CQKLCOSRPQDKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-15-9-6-7-13-18(15)17(19)12-8-14-20-16-10-4-3-5-11-16/h3-5,10-11,15H,2,6-9,12-14H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one?
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one is sourced from PubChem (CID 2914939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).