4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide

C14H22N4 — CID 63882036

IUPAC4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(C)(C)CC2)ccn1
InChIInChI=1S/C14H22N4/c1-14(2)4-7-18(8-5-14)10-11-3-6-17-12(9-11)13(15)16/h3,6,9H,4-5,7-8,10H2,1-2H3,(H3,15,16)
InChIKeyOQICUTZUEUVACY-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.99
Rot. Bonds3

About 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide

4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 63882036) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID63882036
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(C)(C)CC2)ccn1
InChIInChI=1S/C14H22N4/c1-14(2)4-7-18(8-5-14)10-11-3-6-17-12(9-11)13(15)16/h3,6,9H,4-5,7-8,10H2,1-2H3,(H3,15,16)
InChIKeyOQICUTZUEUVACY-UHFFFAOYSA-N
XLogP1.99
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide (CID 63882036) is 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CCC(C)(C)CC2)ccn1.
What is the InChIKey of 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is OQICUTZUEUVACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-14(2)4-7-18(8-5-14)10-11-3-6-17-12(9-11)13(15)16/h3,6,9H,4-5,7-8,10H2,1-2H3,(H3,15,16).
What are the key properties of 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).