2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide

C15H23N3O2 — CID 105352110

IUPAC2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1(O)CCCN(Cc2ccc(CC(=O)NN)cc2)C1
InChIInChI=1S/C15H23N3O2/c1-15(20)7-2-8-18(11-15)10-13-5-3-12(4-6-13)9-14(19)17-16/h3-6,20H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyJAZXGNLUHLMIFM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.57
Rot. Bonds4

About 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide

2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 105352110) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID105352110
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1(O)CCCN(Cc2ccc(CC(=O)NN)cc2)C1
InChIInChI=1S/C15H23N3O2/c1-15(20)7-2-8-18(11-15)10-13-5-3-12(4-6-13)9-14(19)17-16/h3-6,20H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyJAZXGNLUHLMIFM-UHFFFAOYSA-N
XLogP0.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.57
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

1-benzyl-3-methylpiperidin-3-ol
CID 15283107
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
CID 106785727
methyl 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzoate
CID 115883276
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873581
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide (CID 105352110) is 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide is CC1(O)CCCN(Cc2ccc(CC(=O)NN)cc2)C1.
What is the InChIKey of 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is JAZXGNLUHLMIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(20)7-2-8-18(11-15)10-13-5-3-12(4-6-13)9-14(19)17-16/h3-6,20H,2,7-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide?
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 277.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).