(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone

C17H24FNO2 — CID 103830003

IUPAC(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCC(C)(C)C1CCCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C17H24FNO2/c1-17(2,3)12-5-4-9-19(10-8-12)16(21)14-7-6-13(18)11-15(14)20/h6-7,11-12,20H,4-5,8-10H2,1-3H3
InChIKeyPRJVEBDTKMRJNR-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.82
Rot. Bonds1

About (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone

(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 103830003) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID103830003
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCC(C)(C)C1CCCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C17H24FNO2/c1-17(2,3)12-5-4-9-19(10-8-12)16(21)14-7-6-13(18)11-15(14)20/h6-7,11-12,20H,4-5,8-10H2,1-3H3
InChIKeyPRJVEBDTKMRJNR-UHFFFAOYSA-N
XLogP3.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
(4-tert-butylpiperidin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114344264
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
CID 107014936
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
(4-fluoro-2-hydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107015715
2-[1-(4-tert-butylazepan-1-yl)ethyl]-4-fluorophenol
CID 82965409
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 122138150
(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091602

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone (CID 103830003) is (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone is CC(C)(C)C1CCCN(C(=O)c2ccc(F)cc2O)CC1.
What is the InChIKey of (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is PRJVEBDTKMRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-17(2,3)12-5-4-9-19(10-8-12)16(21)14-7-6-13(18)11-15(14)20/h6-7,11-12,20H,4-5,8-10H2,1-3H3.
What are the key properties of (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 293.38 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 103830003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).