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

C12H23N3 — CID 107165251

IUPACN'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide
SMILESCN1CCC(C)(C/N=C(\N)C2CC2)CC1
InChIInChI=1S/C12H23N3/c1-12(5-7-15(2)8-6-12)9-14-11(13)10-3-4-10/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKURPSLCYKURNKX-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.49
Rot. Bonds3

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

N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide (PubChem CID 107165251) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide
PubChem CID107165251
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide
SMILESCN1CCC(C)(C/N=C(\N)C2CC2)CC1
InChIInChI=1S/C12H23N3/c1-12(5-7-15(2)8-6-12)9-14-11(13)10-3-4-10/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKURPSLCYKURNKX-UHFFFAOYSA-N
XLogP1.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.49
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]butanimidamide
CID 107165255
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136961744
N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120662356
3-methyl-3-azaspiro[5.5]undecane-9-carboxamide
CID 59505677
3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 107163347
1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
CID 110031175
2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107165231
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107164990
N'-(2-piperidin-1-ylethyl)cyclohexanecarboximidamide
CID 63176513
N'-[2-(dimethylamino)ethyl]cyclopropanecarboximidamide
CID 63174564

Frequently Asked Questions

What is the IUPAC name of N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide (CID 107165251) is N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide is CN1CCC(C)(C/N=C(\N)C2CC2)CC1.
What is the InChIKey of N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide?
The InChIKey is KURPSLCYKURNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(5-7-15(2)8-6-12)9-14-11(13)10-3-4-10/h10H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide?
N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.49, 3 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]cyclopropanecarboximidamide is sourced from PubChem (CID 107165251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).