N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride

C12H15ClF2N2O — CID 57357481

IUPACN-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride
SMILESCl.ON=C(c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C12H14F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8;/h1-2,7-8,15,17H,3-6H2;1H
InChIKeyCPVWKXXFKMUDPA-UHFFFAOYSA-N
MW276.71 g/mol
LogP2.56
Rot. Bonds2

About N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride

N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride (PubChem CID 57357481) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride
PubChem CID57357481
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC NameN-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride
SMILESCl.ON=C(c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C12H14F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8;/h1-2,7-8,15,17H,3-6H2;1H
InChIKeyCPVWKXXFKMUDPA-UHFFFAOYSA-N
XLogP2.56
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 52.56
H-Bond Donors ≤ 52
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-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride (CID 57357481) is N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride is Cl.ON=C(c1ccc(F)cc1F)C1CCNCC1.
What is the InChIKey of N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride?
The InChIKey is CPVWKXXFKMUDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8;/h1-2,7-8,15,17H,3-6H2;1H.
What are the key properties of N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride?
N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 57357481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).