4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide

C12H18N4 — CID 62924914

IUPAC4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC(C)C2)ccn1
InChIInChI=1S/C12H18N4/c1-9-3-2-6-16(8-9)10-4-5-15-11(7-10)12(13)14/h4-5,7,9H,2-3,6,8H2,1H3,(H3,13,14)
InChIKeyIFEKOXPJYNXDOE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.60
Rot. Bonds2

About 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide

4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide (PubChem CID 62924914) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
PubChem CID62924914
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC(C)C2)ccn1
InChIInChI=1S/C12H18N4/c1-9-3-2-6-16(8-9)10-4-5-15-11(7-10)12(13)14/h4-5,7,9H,2-3,6,8H2,1H3,(H3,13,14)
InChIKeyIFEKOXPJYNXDOE-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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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
CID 114538182
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
4-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carboximidamide
CID 55156475
2-bromo-4-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107279080
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide (CID 62924914) is 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCCC(C)C2)ccn1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is IFEKOXPJYNXDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-3-2-6-16(8-9)10-4-5-15-11(7-10)12(13)14/h4-5,7,9H,2-3,6,8H2,1H3,(H3,13,14).
What are the key properties of 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide?
4-(3-methylpiperidin-1-yl)pyridine-2-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 4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 62924914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).