4-(4-methoxypiperidin-1-yl)butanimidamide

C10H21N3O — CID 43372995

IUPAC4-(4-methoxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(OC)CC1
InChIInChI=1S/C10H21N3O/c1-14-9-4-7-13(8-5-9)6-2-3-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyKNVNMZWOPIANJB-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds5

About 4-(4-methoxypiperidin-1-yl)butanimidamide

4-(4-methoxypiperidin-1-yl)butanimidamide (PubChem CID 43372995) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)butanimidamide
PubChem CID43372995
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(4-methoxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCC(OC)CC1
InChIInChI=1S/C10H21N3O/c1-14-9-4-7-13(8-5-9)6-2-3-10(11)12/h9H,2-8H2,1H3,(H3,11,12)
InChIKeyKNVNMZWOPIANJB-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
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

2-[(4-Ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370605
3,3,3-Trifluoro-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113808118
1-(4-Methoxypiperidin-1-yl)ethanimine
CID 18727529
1-[4-[(2-Methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine
CID 20765497
1-[4-(Propan-2-yloxy)piperidin-1-yl]ethan-1-imine
CID 117882710
(5E)-7-oxa-1,6-diazabicyclo[6.2.2]dodec-5-en-5-amine
CID 130383392
(1-Methylpiperidin-4-yl) ethanimidate
CID 146388584
Methane;1-(4-methoxypiperidin-1-yl)ethanimine
CID 159843772
Hexane;1-methanimidoyl-4-methoxypiperidin-2-imine
CID 168894284
4-(4-Ethoxy-2-iminopiperidin-1-yl)butan-1-amine
CID 174831682
2-(4-Ethoxy-2-iminopiperidin-1-yl)ethanamine
CID 175380973
3-(4-Hydroxypiperidin-1-yl)propanimidamide
CID 24691278

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)butanimidamide?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)butanimidamide (CID 43372995) is 4-(4-methoxypiperidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)butanimidamide?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCC(OC)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)butanimidamide?
The InChIKey is KNVNMZWOPIANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-14-9-4-7-13(8-5-9)6-2-3-10(11)12/h9H,2-8H2,1H3,(H3,11,12).
What are the key properties of 4-(4-methoxypiperidin-1-yl)butanimidamide?
4-(4-methoxypiperidin-1-yl)butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)butanimidamide is sourced from PubChem (CID 43372995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).