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

C15H31N3O2 — CID 106710704

IUPACN'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCCCC1CCO)C(N)=NO
InChIInChI=1S/C15H31N3O2/c1-15(2,14(16)17-20)9-4-6-11-18-10-5-3-7-13(18)8-12-19/h13,19-20H,3-12H2,1-2H3,(H2,16,17)
InChIKeyLVXRCMIBYVLPFU-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.17
Rot. Bonds8

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

N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide (PubChem CID 106710704) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
PubChem CID106710704
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCCCC1CCO)C(N)=NO
InChIInChI=1S/C15H31N3O2/c1-15(2,14(16)17-20)9-4-6-11-18-10-5-3-7-13(18)8-12-19/h13,19-20H,3-12H2,1-2H3,(H2,16,17)
InChIKeyLVXRCMIBYVLPFU-UHFFFAOYSA-N
XLogP2.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.17
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-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
CID 77062920
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
2-[1-(3-fluoropropyl)piperidin-2-yl]ethanol
CID 81113088
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65259018
N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
CID 106710735
2-(1-hept-6-enylpiperidin-2-yl)ethanol
CID 107010082
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide (CID 106710704) is N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide is CC(C)(CCCCN1CCCCC1CCO)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
The InChIKey is LVXRCMIBYVLPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-15(2,14(16)17-20)9-4-6-11-18-10-5-3-7-13(18)8-12-19/h13,19-20H,3-12H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide has a molecular weight of 285.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).