1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol

C16H24FNO2 — CID 116638257

IUPAC1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
SMILESOCC1CCCCCN1CCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c17-14-7-5-13(6-8-14)16(20)9-11-18-10-3-1-2-4-15(18)12-19/h5-8,15-16,19-20H,1-4,9-12H2
InChIKeyDPSFSSUEAQHXAO-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.49
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol

1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol (PubChem CID 116638257) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
PubChem CID116638257
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
SMILESOCC1CCCCCN1CCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c17-14-7-5-13(6-8-14)16(20)9-11-18-10-3-1-2-4-15(18)12-19/h5-8,15-16,19-20H,1-4,9-12H2
InChIKeyDPSFSSUEAQHXAO-UHFFFAOYSA-N
XLogP2.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol with MolForge

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Related Compounds

3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62645062
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 82135943
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-1-ol
CID 79916131
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol (CID 116638257) is 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol is OCC1CCCCCN1CCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol?
The InChIKey is DPSFSSUEAQHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c17-14-7-5-13(6-8-14)16(20)9-11-18-10-3-1-2-4-15(18)12-19/h5-8,15-16,19-20H,1-4,9-12H2.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol?
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol is sourced from PubChem (CID 116638257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).