(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

C14H19FN2O — CID 105371892

IUPAC(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCc1ccc(F)cc1CN1CC/C(=N\O)C(C)C1
InChIInChI=1S/C14H19FN2O/c1-10-3-4-13(15)7-12(10)9-17-6-5-14(16-18)11(2)8-17/h3-4,7,11,18H,5-6,8-9H2,1-2H3/b16-14+
InChIKeyPIQQWGVLAAIJRG-JQIJEIRASA-N
MW250.32 g/mol
LogP2.81
Rot. Bonds2

About (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 105371892) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID105371892
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCc1ccc(F)cc1CN1CC/C(=N\O)C(C)C1
InChIInChI=1S/C14H19FN2O/c1-10-3-4-13(15)7-12(10)9-17-6-5-14(16-18)11(2)8-17/h3-4,7,11,18H,5-6,8-9H2,1-2H3/b16-14+
InChIKeyPIQQWGVLAAIJRG-JQIJEIRASA-N
XLogP2.81
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.81
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'}

Analyze (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 106863951
(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
(NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501083
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
2-fluoro-5-[[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methyl]benzonitrile
CID 107881727
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590
2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
CID 114500701
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(3R,4S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-yl]-4-methylpiperazine
CID 124885142
1-[(3R,4R)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-yl]-4-methylpiperazine
CID 124885148

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (CID 105371892) is (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is Cc1ccc(F)cc1CN1CC/C(=N\O)C(C)C1.
What is the InChIKey of (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is PIQQWGVLAAIJRG-JQIJEIRASA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-3-4-13(15)7-12(10)9-17-6-5-14(16-18)11(2)8-17/h3-4,7,11,18H,5-6,8-9H2,1-2H3/b16-14+.
What are the key properties of (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 250.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 105371892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).