N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine

C12H15IN2O — CID 65476999

IUPACN-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C12H15IN2O/c13-11-3-1-10(2-4-11)9-15-7-5-12(14-16)6-8-15/h1-4,16H,5-9H2
InChIKeyWHMBCSRPBJUFCY-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.72
Rot. Bonds2

About N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine

N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 65476999) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine
PubChem CID65476999
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC NameN-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C12H15IN2O/c13-11-3-1-10(2-4-11)9-15-7-5-12(14-16)6-8-15/h1-4,16H,5-9H2
InChIKeyWHMBCSRPBJUFCY-UHFFFAOYSA-N
XLogP2.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
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

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 12641830
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 82865579
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65490706
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113283047
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]propanoic acid
CID 65477435
4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
CID 65478371
3-bromo-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80676631
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(4-iodophenyl)propan-2-one;dihydrochloride
CID 67730424
bis(N-(1-ethylpiperidin-4-ylidene)hydroxylamine);bis(N-methylmethanamine)
CID 173291524
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine (CID 65476999) is N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine is ON=C1CCN(Cc2ccc(I)cc2)CC1.
What is the InChIKey of N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is WHMBCSRPBJUFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c13-11-3-1-10(2-4-11)9-15-7-5-12(14-16)6-8-15/h1-4,16H,5-9H2.
What are the key properties of N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 330.17 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-iodophenyl)methyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 65476999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).