2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide

C12H25N3O2 — CID 63569762

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N1CCCCC1CCO
InChIInChI=1S/C12H25N3O2/c1-9(2)11(12(17)14-13)15-7-4-3-5-10(15)6-8-16/h9-11,16H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyLDQJKNHOCMRIOH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.24
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide

2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide (PubChem CID 63569762) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide
PubChem CID63569762
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N1CCCCC1CCO
InChIInChI=1S/C12H25N3O2/c1-9(2)11(12(17)14-13)15-7-4-3-5-10(15)6-8-16/h9-11,16H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyLDQJKNHOCMRIOH-UHFFFAOYSA-N
XLogP0.24
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethyl)piperidin-1-yl]butanehydrazide
CID 63570647
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
CID 63573193
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 111461966
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
4-(2-propylpiperidin-1-yl)pentanehydrazide
CID 83056932
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 61407625
2-chloro-2-(2-propylpiperidin-1-yl)acetamide
CID 70633548
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 60914694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide (CID 63569762) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide is CC(C)C(C(=O)NN)N1CCCCC1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide?
The InChIKey is LDQJKNHOCMRIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)11(12(17)14-13)15-7-4-3-5-10(15)6-8-16/h9-11,16H,3-8,13H2,1-2H3,(H,14,17).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide?
2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutanehydrazide is sourced from PubChem (CID 63569762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).