2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide

C15H23N3O — CID 17221703

IUPAC2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
SMILESCc1cccc(CN2CCC(CC(=O)NN)CC2)c1
InChIInChI=1S/C15H23N3O/c1-12-3-2-4-14(9-12)11-18-7-5-13(6-8-18)10-15(19)17-16/h2-4,9,13H,5-8,10-11,16H2,1H3,(H,17,19)
InChIKeyYQVZPVOQJVPKLL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide

2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide (PubChem CID 17221703) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
PubChem CID17221703
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
SMILESCc1cccc(CN2CCC(CC(=O)NN)CC2)c1
InChIInChI=1S/C15H23N3O/c1-12-3-2-4-14(9-12)11-18-7-5-13(6-8-18)10-15(19)17-16/h2-4,9,13H,5-8,10-11,16H2,1H3,(H,17,19)
InChIKeyYQVZPVOQJVPKLL-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 67821615
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide?
The IUPAC name of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide (CID 17221703) is 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide.
What is the SMILES notation for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide?
The canonical SMILES for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide is Cc1cccc(CN2CCC(CC(=O)NN)CC2)c1.
What is the InChIKey of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide?
The InChIKey is YQVZPVOQJVPKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-3-2-4-14(9-12)11-18-7-5-13(6-8-18)10-15(19)17-16/h2-4,9,13H,5-8,10-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide?
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide is sourced from PubChem (CID 17221703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).