(2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol

C11H24N4O — CID 143050182

IUPAC(2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol
SMILESCCC1CCC(C)N(C[C@@H](O)C/N=N/N)C1
InChIInChI=1S/C11H24N4O/c1-3-10-5-4-9(2)15(7-10)8-11(16)6-13-14-12/h9-11,16H,3-8H2,1-2H3,(H2,12,13)/t9?,10?,11-/m0/s1
InChIKeyQSLKSKUDWDSWOM-ILDUYXDCSA-N
MW228.34 g/mol
LogP1.18
Rot. Bonds5

About (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol

(2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol (PubChem CID 143050182) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol
PubChem CID143050182
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name(2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol
SMILESCCC1CCC(C)N(C[C@@H](O)C/N=N/N)C1
InChIInChI=1S/C11H24N4O/c1-3-10-5-4-9(2)15(7-10)8-11(16)6-13-14-12/h9-11,16H,3-8H2,1-2H3,(H2,12,13)/t9?,10?,11-/m0/s1
InChIKeyQSLKSKUDWDSWOM-ILDUYXDCSA-N
XLogP1.18
TPSA74.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-methyl-1-(2-methylbutyl)piperidin-3-yl]methanamine
CID 62105869
1-(2,3-dihydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 82849638
1-(3-amino-2-hydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 104643418
1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine
CID 130815946
2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol
CID 112734610
(2R)-1-(2-ethylpiperidin-1-yl)-3-(methyldiazenyl)propan-2-ol
CID 67565871
(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161396
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 112734466
(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide
CID 130697867
2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate
CID 587828
3-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]cyclobutan-1-amine
CID 130663186
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol (CID 143050182) is (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol is CCC1CCC(C)N(C[C@@H](O)C/N=N/N)C1.
What is the InChIKey of (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is QSLKSKUDWDSWOM-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-10-5-4-9(2)15(7-10)8-11(16)6-13-14-12/h9-11,16H,3-8H2,1-2H3,(H2,12,13)/t9?,10?,11-/m0/s1.
What are the key properties of (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol?
(2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 143050182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).