4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol

C10H20N2O2 — CID 174370838

IUPAC4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(C=NO)CC1
InChIInChI=1S/C10H20N2O2/c13-8-2-1-5-12-6-3-10(4-7-12)9-11-14/h9-10,13-14H,1-8H2
InChIKeyBZSNVNCXQWAWPD-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.93
Rot. Bonds5

About 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol

4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol (PubChem CID 174370838) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol
PubChem CID174370838
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(C=NO)CC1
InChIInChI=1S/C10H20N2O2/c13-8-2-1-5-12-6-3-10(4-7-12)9-11-14/h9-10,13-14H,1-8H2
InChIKeyBZSNVNCXQWAWPD-UHFFFAOYSA-N
XLogP0.93
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol (CID 174370838) is 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol is OCCCCN1CCC(C=NO)CC1.
What is the InChIKey of 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol?
The InChIKey is BZSNVNCXQWAWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-8-2-1-5-12-6-3-10(4-7-12)9-11-14/h9-10,13-14H,1-8H2.
What are the key properties of 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol?
4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxyiminomethyl)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 174370838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).