1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol

C14H19FN2O3 — CID 111106734

IUPAC1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O3/c1-10(18)13-6-2-3-8-16(13)9-11-12(15)5-4-7-14(11)17(19)20/h4-5,7,10,13,18H,2-3,6,8-9H2,1H3
InChIKeyWVAYPVKHTCPUBS-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.47
Rot. Bonds4

About 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol

1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 111106734) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol
PubChem CID111106734
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O3/c1-10(18)13-6-2-3-8-16(13)9-11-12(15)5-4-7-14(11)17(19)20/h4-5,7,10,13,18H,2-3,6,8-9H2,1H3
InChIKeyWVAYPVKHTCPUBS-UHFFFAOYSA-N
XLogP2.47
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol (CID 111106734) is 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol is CC(O)C1CCCCN1Cc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is WVAYPVKHTCPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10(18)13-6-2-3-8-16(13)9-11-12(15)5-4-7-14(11)17(19)20/h4-5,7,10,13,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol?
1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 282.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111106734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).