2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one

C18H27NO2 — CID 53316936

IUPAC2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C18H27NO2/c1-4-14(5-2)18(20)19-11-9-15(10-12-19)16-7-6-8-17(13-16)21-3/h6-8,13-15H,4-5,9-12H2,1-3H3
InChIKeyFAVFOXOOLNVKQX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds5

About 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one

2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one (PubChem CID 53316936) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
PubChem CID53316936
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C18H27NO2/c1-4-14(5-2)18(20)19-11-9-15(10-12-19)16-7-6-8-17(13-16)21-3/h6-8,13-15H,4-5,9-12H2,1-3H3
InChIKeyFAVFOXOOLNVKQX-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one (CID 53316936) is 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(c2cccc(OC)c2)CC1.
What is the InChIKey of 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
The InChIKey is FAVFOXOOLNVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-14(5-2)18(20)19-11-9-15(10-12-19)16-7-6-8-17(13-16)21-3/h6-8,13-15H,4-5,9-12H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 53316936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).