1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one

C16H23NO — CID 116563790

IUPAC1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
SMILESCCc1ccc(C(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C16H23NO/c1-2-13-6-8-14(9-7-13)16(18)11-10-15-5-3-4-12-17-15/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeyIHPSIFUCNIIKKC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.35
Rot. Bonds5

About 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one

1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one (PubChem CID 116563790) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
PubChem CID116563790
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
SMILESCCc1ccc(C(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C16H23NO/c1-2-13-6-8-14(9-7-13)16(18)11-10-15-5-3-4-12-17-15/h6-9,15,17H,2-5,10-12H2,1H3
InChIKeyIHPSIFUCNIIKKC-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 116563717
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154
1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425722
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one (CID 116563790) is 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one is CCc1ccc(C(=O)CCC2CCCCN2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is IHPSIFUCNIIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-13-6-8-14(9-7-13)16(18)11-10-15-5-3-4-12-17-15/h6-9,15,17H,2-5,10-12H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one?
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).