1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one

C18H27NO2 — CID 3180

💊View drug profile → dyclonine
IUPAC1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
InChIKeyBZEWSEKUUPWQDQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.92
Rot. Bonds8

About 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one

1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 3180) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID3180
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
InChIKeyBZEWSEKUUPWQDQ-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dyclonine Hydrochloride
CID 68304
Parethoxycaine
CID 7183
Cyclomethycaine
CID 10839
Pitofenone hydrochloride
CID 121097
Propipocaine
CID 70864
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 70563
2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
CID 35751
1-[4-(Benzyloxy)phenyl]ethan-1-one
CID 245226
Pitofenone
CID 121098
(4-Bromophenyl)(2-fluoro-4-((6-(methyl-2-propen-1-ylamino)hexyl)oxy)phenyl)methanone
CID 1949

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one (CID 3180) is 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one is CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is BZEWSEKUUPWQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3.
What are the key properties of 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one?
1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).