3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide

C16H26N4 — CID 63158312

IUPAC3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCC(CC)(CC)CC1
InChIInChI=1S/C16H26N4/c1-3-16(4-2)7-10-20(11-8-16)12-13-6-5-9-19-14(13)15(17)18/h5-6,9H,3-4,7-8,10-12H2,1-2H3,(H3,17,18)
InChIKeyYEYOWQUOSNOZRL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide

3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 63158312) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID63158312
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCC(CC)(CC)CC1
InChIInChI=1S/C16H26N4/c1-3-16(4-2)7-10-20(11-8-16)12-13-6-5-9-19-14(13)15(17)18/h5-6,9H,3-4,7-8,10-12H2,1-2H3,(H3,17,18)
InChIKeyYEYOWQUOSNOZRL-UHFFFAOYSA-N
XLogP2.77
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
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 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide (CID 63158312) is 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN1CCC(CC)(CC)CC1.
What is the InChIKey of 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is YEYOWQUOSNOZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-16(4-2)7-10-20(11-8-16)12-13-6-5-9-19-14(13)15(17)18/h5-6,9H,3-4,7-8,10-12H2,1-2H3,(H3,17,18).
What are the key properties of 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide?
3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63158312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).