1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone

C18H27NO2 — CID 82053998

IUPAC1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
SMILESCCOc1ccc(C(C)C)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C18H27NO2/c1-4-21-18-9-8-15(14(2)3)12-16(18)17(20)13-19-10-6-5-7-11-19/h8-9,12,14H,4-7,10-11,13H2,1-3H3
InChIKeyHIWNDANHNPBSHD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.88
Rot. Bonds6

About 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone

1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone (PubChem CID 82053998) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
PubChem CID82053998
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
SMILESCCOc1ccc(C(C)C)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C18H27NO2/c1-4-21-18-9-8-15(14(2)3)12-16(18)17(20)13-19-10-6-5-7-11-19/h8-9,12,14H,4-7,10-11,13H2,1-3H3
InChIKeyHIWNDANHNPBSHD-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 82054000
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone
CID 93191468
1-[2-(2-ethoxy-5-methylphenyl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 82136178
1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 82054227
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
CID 53422269

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone (CID 82053998) is 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone is CCOc1ccc(C(C)C)cc1C(=O)CN1CCCCC1.
What is the InChIKey of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
The InChIKey is HIWNDANHNPBSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-21-18-9-8-15(14(2)3)12-16(18)17(20)13-19-10-6-5-7-11-19/h8-9,12,14H,4-7,10-11,13H2,1-3H3.
What are the key properties of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone has a molecular weight of 289.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 82053998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).