4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

C11H23N3O — CID 114679004

IUPAC4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCC(O)C(C)C1
InChIInChI=1S/C11H23N3O/c1-8(2)6-13-11(12)14-5-4-10(15)9(3)7-14/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyPNUQQKAONBVREY-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.66
Rot. Bonds2

About 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 114679004) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID114679004
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCC(O)C(C)C1
InChIInChI=1S/C11H23N3O/c1-8(2)6-13-11(12)14-5-4-10(15)9(3)7-14/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyPNUQQKAONBVREY-UHFFFAOYSA-N
XLogP0.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 114679004) is 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is CC(C)C/N=C(\N)N1CCC(O)C(C)C1.
What is the InChIKey of 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is PNUQQKAONBVREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)6-13-11(12)14-5-4-10(15)9(3)7-14/h8-10,15H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 114679004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).