4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide

C10H21N3O — CID 81098100

IUPAC4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(C)(O)CC1
InChIInChI=1S/C10H21N3O/c1-10(14)4-7-13(8-5-10)6-2-3-9(11)12/h14H,2-8H2,1H3,(H3,11,12)
InChIKeyIFLRDLIFHDCDGZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds4

About 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide

4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide (PubChem CID 81098100) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide
PubChem CID81098100
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(C)(O)CC1
InChIInChI=1S/C10H21N3O/c1-10(14)4-7-13(8-5-10)6-2-3-9(11)12/h14H,2-8H2,1H3,(H3,11,12)
InChIKeyIFLRDLIFHDCDGZ-UHFFFAOYSA-N
XLogP0.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide (CID 81098100) is 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCC(C)(O)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide?
The InChIKey is IFLRDLIFHDCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(14)4-7-13(8-5-10)6-2-3-9(11)12/h14H,2-8H2,1H3,(H3,11,12).
What are the key properties of 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide?
4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 81098100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).