2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide

C17H27N3O — CID 105352099

IUPAC2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-12-8-9-20(10-13(12)2)11-15-4-6-16(7-5-15)14(3)17(21)19-18/h4-7,12-14H,8-11,18H2,1-3H3,(H,19,21)
InChIKeyCZIWXTYJLWBQCP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide

2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide (PubChem CID 105352099) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
PubChem CID105352099
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-12-8-9-20(10-13(12)2)11-15-4-6-16(7-5-15)14(3)17(21)19-18/h4-7,12-14H,8-11,18H2,1-3H3,(H,19,21)
InChIKeyCZIWXTYJLWBQCP-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.26
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-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
2-[4-(1,4-diazepan-1-ylmethyl)phenyl]propanehydrazide
CID 105351905
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348367
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178
2-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345668
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide (CID 105352099) is 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CN2CCC(C)C(C)C2)cc1.
What is the InChIKey of 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide?
The InChIKey is CZIWXTYJLWBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-8-9-20(10-13(12)2)11-15-4-6-16(7-5-15)14(3)17(21)19-18/h4-7,12-14H,8-11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide?
2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide has a molecular weight of 289.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).