4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide

C10H21N3O — CID 114678830

IUPAC4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(O)C(C)C1
InChIInChI=1S/C10H21N3O/c1-8-7-13(6-4-9(8)14)5-2-3-10(11)12/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyRAQGFZJJPDKHID-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.41
Rot. Bonds4

About 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide

4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide (PubChem CID 114678830) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
PubChem CID114678830
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(O)C(C)C1
InChIInChI=1S/C10H21N3O/c1-8-7-13(6-4-9(8)14)5-2-3-10(11)12/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyRAQGFZJJPDKHID-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
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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Related Compounds

3,3,3-Trifluoro-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370550
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808083
3,3,3-Trifluoro-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808179
3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
CID 54195403
ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
CID 145380264
3-(4-Hydroxypiperidin-1-yl)propanimidamide
CID 24691278
4-(4-Hydroxypiperidin-1-yl)butanimidamide
CID 24699078
4-[4-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133190
3-(4-Hydroxypiperidin-1-yl)pentanimidamide
CID 43175060
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43367928
3-(4-Hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43368002

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
The IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide (CID 114678830) is 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
The canonical SMILES for 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCC(O)C(C)C1.
What is the InChIKey of 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
The InChIKey is RAQGFZJJPDKHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8-7-13(6-4-9(8)14)5-2-3-10(11)12/h8-9,14H,2-7H2,1H3,(H3,11,12).
What are the key properties of 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 114678830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).