(NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine

C11H14FIN2O — CID 143816419

IUPAC(NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine
SMILESO/N=C(\C1=IC=C(F)C=C1)C1CCNCC1
InChIInChI=1S/C11H14FIN2O/c12-9-1-2-10(13-7-9)11(15-16)8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2/b15-11-
InChIKeyFETMPTGEYVZPLD-PTNGSMBKSA-N
MW336.15 g/mol
LogP2.34
Rot. Bonds2

About (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine

(NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine (PubChem CID 143816419) has the molecular formula C11H14FIN2O and a molecular weight of 336.15 g/mol. Its IUPAC name is (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine
PubChem CID143816419
Molecular FormulaC11H14FIN2O
Molecular Weight336.15 g/mol
Exact Mass336.01
IUPAC Name(NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine
SMILESO/N=C(\C1=IC=C(F)C=C1)C1CCNCC1
InChIInChI=1S/C11H14FIN2O/c12-9-1-2-10(13-7-9)11(15-16)8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2/b15-11-
InChIKeyFETMPTGEYVZPLD-PTNGSMBKSA-N
XLogP2.34
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(4-fluoro-2-iodocyclohexa-1,5-dien-1-yl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 172987897
(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium
CID 59974004

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine (CID 143816419) is (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine is O/N=C(\C1=IC=C(F)C=C1)C1CCNCC1.
What is the InChIKey of (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine?
The InChIKey is FETMPTGEYVZPLD-PTNGSMBKSA-N. The full InChI is InChI=1S/C11H14FIN2O/c12-9-1-2-10(13-7-9)11(15-16)8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2/b15-11-.
What are the key properties of (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine?
(NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine has a molecular weight of 336.15 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine is sourced from PubChem (CID 143816419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).