2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone

C18H27NO — CID 63567700

IUPAC2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCC1CCN(CC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-4-15-9-11-19(12-10-15)13-18(20)17-7-5-16(6-8-17)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3
InChIKeyNUNMQRBRMPVNQH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone

2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 63567700) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID63567700
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCC1CCN(CC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-4-15-9-11-19(12-10-15)13-18(20)17-7-5-16(6-8-17)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3
InChIKeyNUNMQRBRMPVNQH-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
1-(4-propan-2-ylphenyl)-2-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110366862
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 65319733
4-[2-[4-(2-methylpropyl)piperidin-1-yl]acetyl]benzonitrile
CID 59000971
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone (CID 63567700) is 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone is CCC1CCN(CC(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is NUNMQRBRMPVNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-15-9-11-19(12-10-15)13-18(20)17-7-5-16(6-8-17)14(2)3/h5-8,14-15H,4,9-13H2,1-3H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone?
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 273.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 63567700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).