1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone

C15H21NO — CID 61420820

IUPAC1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
SMILESCCC1CCN(c2ccccc2C(C)=O)CC1
InChIInChI=1S/C15H21NO/c1-3-13-8-10-16(11-9-13)15-7-5-4-6-14(15)12(2)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyPFEXGXIKQJFNLA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.52
Rot. Bonds3

About 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone

1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone (PubChem CID 61420820) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
PubChem CID61420820
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
SMILESCCC1CCN(c2ccccc2C(C)=O)CC1
InChIInChI=1S/C15H21NO/c1-3-13-8-10-16(11-9-13)15-7-5-4-6-14(15)12(2)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyPFEXGXIKQJFNLA-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
CID 113388848
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone
CID 143494422
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
methyl 2-amino-3-(4-ethylazepan-1-yl)benzoate
CID 115546284
2-[1-(2-carbamoylphenyl)piperidin-4-yl]acetic acid
CID 79608319
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027
methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate
CID 117003563
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone (CID 61420820) is 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone is CCC1CCN(c2ccccc2C(C)=O)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is PFEXGXIKQJFNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-13-8-10-16(11-9-13)15-7-5-4-6-14(15)12(2)17/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone?
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 61420820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).