N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide

C13H27N3O2 — CID 77063104

IUPACN'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCC(CO)CC1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)15-18)6-3-7-16-8-4-11(10-17)5-9-16/h11,17-18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyICEOREXPTNTGEF-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.24
Rot. Bonds6

About N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 77063104) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID77063104
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCC(CO)CC1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)15-18)6-3-7-16-8-4-11(10-17)5-9-16/h11,17-18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyICEOREXPTNTGEF-UHFFFAOYSA-N
XLogP1.24
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
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 N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (CID 77063104) is N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is CC(C)(CCCN1CCC(CO)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is ICEOREXPTNTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,12(14)15-18)6-3-7-16-8-4-11(10-17)5-9-16/h11,17-18H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).