2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone

C17H25NO2 — CID 43393419

IUPAC2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCCCCc1ccc(CC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-14-5-7-15(8-6-14)13-17(20)18-11-9-16(19)10-12-18/h5-8,16,19H,2-4,9-13H2,1H3
InChIKeyPOZOSBURXJLSIV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 43393419) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID43393419
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCCCCc1ccc(CC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-14-5-7-15(8-6-14)13-17(20)18-11-9-16(19)10-12-18/h5-8,16,19H,2-4,9-13H2,1H3
InChIKeyPOZOSBURXJLSIV-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443319
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-butylphenyl)ethanone
CID 120657773
2-(4-butylphenyl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 60594601
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
CID 121061896
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
CID 124683352
2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98021084

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 43393419) is 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is CCCCc1ccc(CC(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is POZOSBURXJLSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-4-14-5-7-15(8-6-14)13-17(20)18-11-9-16(19)10-12-18/h5-8,16,19H,2-4,9-13H2,1H3.
What are the key properties of 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43393419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).