[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine

C18H31N3 — CID 105239895

IUPAC[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
SMILESCc1ccc(CC(NN)C(C)(C)N2CCCCC2)cc1C
InChIInChI=1S/C18H31N3/c1-14-8-9-16(12-15(14)2)13-17(20-19)18(3,4)21-10-6-5-7-11-21/h8-9,12,17,20H,5-7,10-11,13,19H2,1-4H3
InChIKeyXEGWITANKFDTDW-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.94
Rot. Bonds5

About [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine

[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine (PubChem CID 105239895) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
PubChem CID105239895
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
SMILESCc1ccc(CC(NN)C(C)(C)N2CCCCC2)cc1C
InChIInChI=1S/C18H31N3/c1-14-8-9-16(12-15(14)2)13-17(20-19)18(3,4)21-10-6-5-7-11-21/h8-9,12,17,20H,5-7,10-11,13,19H2,1-4H3
InChIKeyXEGWITANKFDTDW-UHFFFAOYSA-N
XLogP2.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105377853
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239692
[1-(furan-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239574
1-(3,4-dimethylphenyl)-2-hydrazinyl-N,N,3-trimethylpentan-3-amine
CID 105240604
1-(3,4-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240894
(3-methyl-3-piperidin-1-yl-1-thiophen-2-ylbutan-2-yl)hydrazine
CID 105239963
[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239989
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine (CID 105239895) is [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine is Cc1ccc(CC(NN)C(C)(C)N2CCCCC2)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The InChIKey is XEGWITANKFDTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-8-9-16(12-15(14)2)13-17(20-19)18(3,4)21-10-6-5-7-11-21/h8-9,12,17,20H,5-7,10-11,13,19H2,1-4H3.
What are the key properties of [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine has a molecular weight of 289.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105239895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).