N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide

C14H21N3O2 — CID 81115655

IUPACN'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCC1(O)CCN(Cc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(18)6-8-17(9-7-14)10-11-2-4-12(5-3-11)13(15)16-19/h2-5,18-19H,6-10H2,1H3,(H2,15,16)
InChIKeyOCZYEAWIGNEMCR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds3

About N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide

N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 81115655) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID81115655
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCC1(O)CCN(Cc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(18)6-8-17(9-7-14)10-11-2-4-12(5-3-11)13(15)16-19/h2-5,18-19H,6-10H2,1H3,(H2,15,16)
InChIKeyOCZYEAWIGNEMCR-UHFFFAOYSA-N
XLogP1.13
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 81115655) is N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide is CC1(O)CCN(Cc2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is OCZYEAWIGNEMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(18)6-8-17(9-7-14)10-11-2-4-12(5-3-11)13(15)16-19/h2-5,18-19H,6-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 81115655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).