5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide

C12H26N4O — CID 54966178

IUPAC5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
SMILESCN(C)C1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-15(2)11-6-9-16(10-7-11)8-4-3-5-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyRWHKGMNEEYECIG-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.93
Rot. Bonds6

About 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide

5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 54966178) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
PubChem CID54966178
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
SMILESCN(C)C1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-15(2)11-6-9-16(10-7-11)8-4-3-5-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyRWHKGMNEEYECIG-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide (CID 54966178) is 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide is CN(C)C1CCN(CCCCC(N)=NO)CC1.
What is the InChIKey of 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is RWHKGMNEEYECIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-15(2)11-6-9-16(10-7-11)8-4-3-5-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54966178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).