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

C13H28N4O — CID 54986118

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(9-13(14)15-18)17-7-5-11(6-8-17)10-16(2)3/h11-12,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyHEOXYNTZHPHPGV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.18
Rot. Bonds6

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

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 54986118) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide
PubChem CID54986118
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(9-13(14)15-18)17-7-5-11(6-8-17)10-16(2)3/h11-12,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyHEOXYNTZHPHPGV-UHFFFAOYSA-N
XLogP1.18
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.18
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)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide (CID 54986118) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N1CCC(CN(C)C)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is HEOXYNTZHPHPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-12(9-13(14)15-18)17-7-5-11(6-8-17)10-16(2)3/h11-12,18H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide?
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54986118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).