2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide

C16H32N4 — CID 65252553

IUPAC2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H32N4/c1-16(2,15(17)18)7-12-19-10-5-14(6-11-19)13-20-8-3-4-9-20/h14H,3-13H2,1-2H3,(H3,17,18)
InChIKeyNACVJDFHRWELFF-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.15
Rot. Bonds6

About 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide

2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide (PubChem CID 65252553) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
PubChem CID65252553
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H32N4/c1-16(2,15(17)18)7-12-19-10-5-14(6-11-19)13-20-8-3-4-9-20/h14H,3-13H2,1-2H3,(H3,17,18)
InChIKeyNACVJDFHRWELFF-UHFFFAOYSA-N
XLogP2.15
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.15
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

2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258244
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65257995
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 112625805
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81097525
5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912
4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 65250505
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
CID 107223309
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide
CID 65252705
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylbutanimidamide
CID 65252769

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide (CID 65252553) is 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide?
The InChIKey is NACVJDFHRWELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-16(2,15(17)18)7-12-19-10-5-14(6-11-19)13-20-8-3-4-9-20/h14H,3-13H2,1-2H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide?
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide has a molecular weight of 280.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 65252553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).