N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide

C14H29N3O2 — CID 106711445

IUPACN'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide
SMILESCC1(O)CCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)16-19)6-4-5-9-17-10-7-14(3,18)8-11-17/h18-19H,4-11H2,1-3H3,(H2,15,16)
InChIKeyUNTMTNZAEATSSG-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.78
Rot. Bonds6

About N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide

N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide (PubChem CID 106711445) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide
PubChem CID106711445
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide
SMILESCC1(O)CCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)16-19)6-4-5-9-17-10-7-14(3,18)8-11-17/h18-19H,4-11H2,1-3H3,(H2,15,16)
InChIKeyUNTMTNZAEATSSG-UHFFFAOYSA-N
XLogP1.78
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.78
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-(4-hydroxypiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 77062922
N'-hydroxy-5-(4-hydroxypiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 77063086
5-(4-Hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 81096798
4-(4-Hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81097525
N'-hydroxy-5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
CID 81114877
N'-hydroxy-4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81114996
N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide
CID 81115114
N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 81115553
N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
CID 81115751
N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide
CID 81115844
N'-hydroxy-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 81115845
N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)propanimidamide
CID 81116052

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide (CID 106711445) is N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide is CC1(O)CCN(CCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide?
The InChIKey is UNTMTNZAEATSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2,12(15)16-19)6-4-5-9-17-10-7-14(3,18)8-11-17/h18-19H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide?
N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).