2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide

C15H23N3O2 — CID 105351597

IUPAC2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C15H23N3O2/c16-17-15(20)9-12-1-3-13(4-2-12)10-18-7-5-14(11-19)6-8-18/h1-4,14,19H,5-11,16H2,(H,17,20)
InChIKeyJAJQDAHAENBOHS-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.42
Rot. Bonds5

About 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide

2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide (PubChem CID 105351597) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
PubChem CID105351597
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C15H23N3O2/c16-17-15(20)9-12-1-3-13(4-2-12)10-18-7-5-14(11-19)6-8-18/h1-4,14,19H,5-11,16H2,(H,17,20)
InChIKeyJAJQDAHAENBOHS-UHFFFAOYSA-N
XLogP0.42
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.42
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-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352065
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]acetohydrazide
CID 105352050
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 43246141
2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
2-[4-(hydroxymethyl)azepan-1-yl]acetohydrazide
CID 130906138

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide (CID 105351597) is 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CN2CCC(CO)CC2)cc1.
What is the InChIKey of 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The InChIKey is JAJQDAHAENBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-17-15(20)9-12-1-3-13(4-2-12)10-18-7-5-14(11-19)6-8-18/h1-4,14,19H,5-11,16H2,(H,17,20).
What are the key properties of 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide has a molecular weight of 277.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).