3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide

C12H26N4O — CID 43586080

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(N(C)C)CC1
InChIInChI=1S/C12H26N4O/c1-4-10(9-12(13)14-17)16-7-5-11(6-8-16)15(2)3/h10-11,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyITVMPWWPJILZAY-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.93
Rot. Bonds5

About 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide

3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 43586080) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
PubChem CID43586080
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(N(C)C)CC1
InChIInChI=1S/C12H26N4O/c1-4-10(9-12(13)14-17)16-7-5-11(6-8-16)15(2)3/h10-11,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyITVMPWWPJILZAY-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': '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 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide (CID 43586080) is 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N1CCC(N(C)C)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is ITVMPWWPJILZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-10(9-12(13)14-17)16-7-5-11(6-8-16)15(2)3/h10-11,17H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide?
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide is sourced from PubChem (CID 43586080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).