N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide

C12H25N3 — CID 107165255

IUPACN'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\CC1(C)CCN(C)CC1
InChIInChI=1S/C12H25N3/c1-4-5-11(13)14-10-12(2)6-8-15(3)9-7-12/h4-10H2,1-3H3,(H2,13,14)
InChIKeyWYKSKSDHLMSCOF-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.88
Rot. Bonds4

About N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide

N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide (PubChem CID 107165255) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide.

Molecular Properties

Compound NameN'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide
PubChem CID107165255
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\CC1(C)CCN(C)CC1
InChIInChI=1S/C12H25N3/c1-4-5-11(13)14-10-12(2)6-8-15(3)9-7-12/h4-10H2,1-3H3,(H2,13,14)
InChIKeyWYKSKSDHLMSCOF-UHFFFAOYSA-N
XLogP1.88
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine
CID 107164251
N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide
CID 107165251
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
N'-(1-methylcyclopentyl)butanimidamide
CID 64688898
S-(1,4-dimethylpiperidin-4-yl)thiohydroxylamine
CID 143339269
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
CID 107164199
N'-(1-methylpyrrolidin-3-yl)butanimidamide
CID 63177561
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626
1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine
CID 107165698
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956

Frequently Asked Questions

What is the IUPAC name of N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide?
The IUPAC name of N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide (CID 107165255) is N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide.
What is the SMILES notation for N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide?
The canonical SMILES for N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide is CCC/C(N)=N\CC1(C)CCN(C)CC1.
What is the InChIKey of N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide?
The InChIKey is WYKSKSDHLMSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-5-11(13)14-10-12(2)6-8-15(3)9-7-12/h4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide?
N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide has a molecular weight of 211.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide is sourced from PubChem (CID 107165255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).