N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide

C14H29N3O2 — CID 106710748

IUPACN'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCCC(CO)C1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-19)7-3-4-8-17-9-5-6-12(10-17)11-18/h12,18-19H,3-11H2,1-2H3,(H2,15,16)
InChIKeyHEJUIPOSNHCIJJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.63
Rot. Bonds7

About N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide (PubChem CID 106710748) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
PubChem CID106710748
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCCC(CO)C1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-19)7-3-4-8-17-9-5-6-12(10-17)11-18/h12,18-19H,3-11H2,1-2H3,(H2,15,16)
InChIKeyHEJUIPOSNHCIJJ-UHFFFAOYSA-N
XLogP1.63
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanimidamide
CID 103942760
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073400
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710744
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710704

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide (CID 106710748) is N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide is CC(C)(CCCCN1CCCC(CO)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
The InChIKey is HEJUIPOSNHCIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,13(15)16-19)7-3-4-8-17-9-5-6-12(10-17)11-18/h12,18-19H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).