[5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol

C14H19IN2O2 — CID 173031075

IUPAC[5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1CC(C=NO)CN(C(I)c2ccccc2)C1
InChIInChI=1S/C14H19IN2O2/c15-14(13-4-2-1-3-5-13)17-8-11(7-16-19)6-12(9-17)10-18/h1-5,7,11-12,14,18-19H,6,8-10H2
InChIKeyVFKBPHZXEOZLSS-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.51
Rot. Bonds4

About [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol

[5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol (PubChem CID 173031075) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol
PubChem CID173031075
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name[5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1CC(C=NO)CN(C(I)c2ccccc2)C1
InChIInChI=1S/C14H19IN2O2/c15-14(13-4-2-1-3-5-13)17-8-11(7-16-19)6-12(9-17)10-18/h1-5,7,11-12,14,18-19H,6,8-10H2
InChIKeyVFKBPHZXEOZLSS-UHFFFAOYSA-N
XLogP2.51
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol (CID 173031075) is [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol is OCC1CC(C=NO)CN(C(I)c2ccccc2)C1.
What is the InChIKey of [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is VFKBPHZXEOZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c15-14(13-4-2-1-3-5-13)17-8-11(7-16-19)6-12(9-17)10-18/h1-5,7,11-12,14,18-19H,6,8-10H2.
What are the key properties of [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol?
[5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 374.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxyiminomethyl)-1-[iodo(phenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 173031075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).