3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide

C14H21N3O2 — CID 55214436

IUPAC3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN2CCCCC2CO)c1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)12-5-3-4-11(8-12)9-17-7-2-1-6-13(17)10-18/h3-5,8,13,18H,1-2,6-7,9-10,15H2,(H,16,19)
InChIKeyODUHTNRSZHPFRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.64
Rot. Bonds4

About 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide

3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide (PubChem CID 55214436) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
PubChem CID55214436
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN2CCCCC2CO)c1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)12-5-3-4-11(8-12)9-17-7-2-1-6-13(17)10-18/h3-5,8,13,18H,1-2,6-7,9-10,15H2,(H,16,19)
InChIKeyODUHTNRSZHPFRP-UHFFFAOYSA-N
XLogP0.64
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.64
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

3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 110901980
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 116634853
N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
(E)-3-[3-[[2-(hydroxymethyl)azepan-1-yl]methyl]phenyl]prop-2-enoic acid
CID 116637206
N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95268952
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
1-[[3-(hydrazinecarbonyl)phenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 63585615

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide?
The IUPAC name of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide (CID 55214436) is 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide is NNC(=O)c1cccc(CN2CCCCC2CO)c1.
What is the InChIKey of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide?
The InChIKey is ODUHTNRSZHPFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-16-14(19)12-5-3-4-11(8-12)9-17-7-2-1-6-13(17)10-18/h3-5,8,13,18H,1-2,6-7,9-10,15H2,(H,16,19).
What are the key properties of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide?
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide has a molecular weight of 263.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 55214436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).