2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide

C15H23N3O3 — CID 82689559

IUPAC2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CCC(OCCO)CC1
InChIInChI=1S/C15H23N3O3/c16-17-15(20)14-4-2-1-3-12(14)11-18-7-5-13(6-8-18)21-10-9-19/h1-4,13,19H,5-11,16H2,(H,17,20)
InChIKeyBOYFKUJIQIHVKI-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.26
Rot. Bonds6

About 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide

2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide (PubChem CID 82689559) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
PubChem CID82689559
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CCC(OCCO)CC1
InChIInChI=1S/C15H23N3O3/c16-17-15(20)14-4-2-1-3-12(14)11-18-7-5-13(6-8-18)21-10-9-19/h1-4,13,19H,5-11,16H2,(H,17,20)
InChIKeyBOYFKUJIQIHVKI-UHFFFAOYSA-N
XLogP0.26
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82015571
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
CID 79735005
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
CID 63569716
2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
CID 63573353
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
CID 66371242
2-[4-(2-hydroxyethoxy)piperidin-1-yl]acetohydrazide
CID 82701189
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone
CID 82691118
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 82701792

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide?
The IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide (CID 82689559) is 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide is NNC(=O)c1ccccc1CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide?
The InChIKey is BOYFKUJIQIHVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-17-15(20)14-4-2-1-3-12(14)11-18-7-5-13(6-8-18)21-10-9-19/h1-4,13,19H,5-11,16H2,(H,17,20).
What are the key properties of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide?
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide has a molecular weight of 293.37 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 82689559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).