N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide

C14H20FN3O2 — CID 58861157

IUPACN'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide
SMILESOCCC1CCN(c2ccc(/N=C/NO)cc2F)CC1
InChIInChI=1S/C14H20FN3O2/c15-13-9-12(16-10-17-20)1-2-14(13)18-6-3-11(4-7-18)5-8-19/h1-2,9-11,19-20H,3-8H2,(H,16,17)
InChIKeyBGOROFLPCCWOHB-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.06
Rot. Bonds5

About N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide

N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide (PubChem CID 58861157) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide
PubChem CID58861157
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide
SMILESOCCC1CCN(c2ccc(/N=C/NO)cc2F)CC1
InChIInChI=1S/C14H20FN3O2/c15-13-9-12(16-10-17-20)1-2-14(13)18-6-3-11(4-7-18)5-8-19/h1-2,9-11,19-20H,3-8H2,(H,16,17)
InChIKeyBGOROFLPCCWOHB-UHFFFAOYSA-N
XLogP2.06
TPSA68.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide (CID 58861157) is N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide is OCCC1CCN(c2ccc(/N=C/NO)cc2F)CC1.
What is the InChIKey of N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide?
The InChIKey is BGOROFLPCCWOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-13-9-12(16-10-17-20)1-2-14(13)18-6-3-11(4-7-18)5-8-19/h1-2,9-11,19-20H,3-8H2,(H,16,17).
What are the key properties of N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide?
N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide has a molecular weight of 281.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 58861157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).