6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide

C12H18N4 — CID 24689535

IUPAC6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C12H18N4/c1-9-4-6-16(7-5-9)11-3-2-10(8-15-11)12(13)14/h2-3,8-9H,4-7H2,1H3,(H3,13,14)
InChIKeyUUUDARHNSHJNGT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.60
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide

6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide (PubChem CID 24689535) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
PubChem CID24689535
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C12H18N4/c1-9-4-6-16(7-5-9)11-3-2-10(8-15-11)12(13)14/h2-3,8-9H,4-7H2,1H3,(H3,13,14)
InChIKeyUUUDARHNSHJNGT-UHFFFAOYSA-N
XLogP1.60
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.60
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 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide (CID 24689535) is 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The InChIKey is UUUDARHNSHJNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-4-6-16(7-5-9)11-3-2-10(8-15-11)12(13)14/h2-3,8-9H,4-7H2,1H3,(H3,13,14).
What are the key properties of 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide has a molecular weight of 218.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 24689535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).