4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol

C12H15FN2O4 — CID 81041016

IUPAC4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
SMILESO=[N+]([O-])c1cc(F)ccc1OCC1(O)CCNCC1
InChIInChI=1S/C12H15FN2O4/c13-9-1-2-11(10(7-9)15(17)18)19-8-12(16)3-5-14-6-4-12/h1-2,7,14,16H,3-6,8H2
InChIKeyNOIUABFRLMBSAR-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.23
Rot. Bonds4

About 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol

4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol (PubChem CID 81041016) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
PubChem CID81041016
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
SMILESO=[N+]([O-])c1cc(F)ccc1OCC1(O)CCNCC1
InChIInChI=1S/C12H15FN2O4/c13-9-1-2-11(10(7-9)15(17)18)19-8-12(16)3-5-14-6-4-12/h1-2,7,14,16H,3-6,8H2
InChIKeyNOIUABFRLMBSAR-UHFFFAOYSA-N
XLogP1.23
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-[(4-hydroxypiperidin-4-yl)methoxy]-3-nitrobenzonitrile
CID 81042407
2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65498478
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213300
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
CID 62368022
4-[(4-fluoropiperidin-4-yl)methoxy]-3-nitrobenzenesulfonamide
CID 67126502
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
4-[(1-hydroxycyclohexyl)methoxy]-3-nitrobenzoic acid
CID 65213761
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
1-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62368535
hydrazinyl 3-(4-fluoro-2-nitrophenoxy)propanoate
CID 66339484
5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol (CID 81041016) is 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol is O=[N+]([O-])c1cc(F)ccc1OCC1(O)CCNCC1.
What is the InChIKey of 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol?
The InChIKey is NOIUABFRLMBSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c13-9-1-2-11(10(7-9)15(17)18)19-8-12(16)3-5-14-6-4-12/h1-2,7,14,16H,3-6,8H2.
What are the key properties of 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol?
4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol has a molecular weight of 270.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 81041016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).