N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide

C8H17N3O2 — CID 129381008

IUPACN'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
SMILESC[C@@H]1CN(C/C(N)=N\O)CC[C@@H]1O
InChIInChI=1S/C8H17N3O2/c1-6-4-11(3-2-7(6)12)5-8(9)10-13/h6-7,12-13H,2-5H2,1H3,(H2,9,10)/t6-,7+/m1/s1
InChIKeyADWYRKFVEHNQEA-RQJHMYQMSA-N
MW187.24 g/mol
LogP-0.56
Rot. Bonds2

About N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide

N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide (PubChem CID 129381008) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
PubChem CID129381008
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
SMILESC[C@@H]1CN(C/C(N)=N\O)CC[C@@H]1O
InChIInChI=1S/C8H17N3O2/c1-6-4-11(3-2-7(6)12)5-8(9)10-13/h6-7,12-13H,2-5H2,1H3,(H2,9,10)/t6-,7+/m1/s1
InChIKeyADWYRKFVEHNQEA-RQJHMYQMSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.56
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808083
2-(3-(2-Fluoroethyl)-4-hydroxypiperidin-1-yl)-N'-hydroxyacetimidamide
CID 121203057
2-[(3R,4R)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502273
2-[(3S,4R)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502274
2-[(3R,4S)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502275
2-[(3S,4S)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502276
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)butanimidamide
CID 24694205
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
N'-hydroxy-2-(4-hydroxypiperidin-1-yl)ethanimidamide
CID 24711128
N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43133177
N'-hydroxy-2-(4-methoxypiperidin-1-yl)ethanimidamide
CID 43216564
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43367928

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide (CID 129381008) is N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide is C[C@@H]1CN(C/C(N)=N\O)CC[C@@H]1O.
What is the InChIKey of N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide?
The InChIKey is ADWYRKFVEHNQEA-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6-4-11(3-2-7(6)12)5-8(9)10-13/h6-7,12-13H,2-5H2,1H3,(H2,9,10)/t6-,7+/m1/s1.
What are the key properties of N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide is sourced from PubChem (CID 129381008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).