2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide

C15H24N4O — CID 79627852

IUPAC2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCC(C)(CN1CCN(c2ccccc2)CC1)C(=O)NN
InChIInChI=1S/C15H24N4O/c1-15(2,14(20)17-16)12-18-8-10-19(11-9-18)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3,(H,17,20)
InChIKeyJATMWXQZBUZYTD-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.82
Rot. Bonds4

About 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide

2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide (PubChem CID 79627852) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
PubChem CID79627852
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCC(C)(CN1CCN(c2ccccc2)CC1)C(=O)NN
InChIInChI=1S/C15H24N4O/c1-15(2,14(20)17-16)12-18-8-10-19(11-9-18)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3,(H,17,20)
InChIKeyJATMWXQZBUZYTD-UHFFFAOYSA-N
XLogP0.82
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
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-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 22687094
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 62272663
tert-butyl 2-amino-3-(4-phenylpiperazin-1-yl)propanoate
CID 174641215
[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate
CID 99906797
(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
CID 30403786
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
CID 130913539
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide (CID 79627852) is 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide is CC(C)(CN1CCN(c2ccccc2)CC1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The InChIKey is JATMWXQZBUZYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,14(20)17-16)12-18-8-10-19(11-9-18)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3,(H,17,20).
What are the key properties of 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide?
2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide has a molecular weight of 276.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 79627852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).