N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine

C13H17FN2O — CID 86027923

IUPACN-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
SMILESCN1CCC(C(=NO)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-16-8-6-11(7-9-16)13(15-17)10-2-4-12(14)5-3-10/h2-5,11,17H,6-9H2,1H3
InChIKeyBCJPWIZVJRVFDN-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.35
Rot. Bonds2

About N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine

N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine (PubChem CID 86027923) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
PubChem CID86027923
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
SMILESCN1CCC(C(=NO)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-16-8-6-11(7-9-16)13(15-17)10-2-4-12(14)5-3-10/h2-5,11,17H,6-9H2,1H3
InChIKeyBCJPWIZVJRVFDN-UHFFFAOYSA-N
XLogP2.35
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine (CID 86027923) is N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine is CN1CCC(C(=NO)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
The InChIKey is BCJPWIZVJRVFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16-8-6-11(7-9-16)13(15-17)10-2-4-12(14)5-3-10/h2-5,11,17H,6-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine?
N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine has a molecular weight of 236.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 86027923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).