[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine

C16H26BrN3 — CID 105239989

IUPAC[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1ccccc1Br)NN)N1CCCCC1
InChIInChI=1S/C16H26BrN3/c1-16(2,20-10-6-3-7-11-20)15(19-18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15,19H,3,6-7,10-12,18H2,1-2H3
InChIKeyXTPJKQPPSXHQIU-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.09
Rot. Bonds5

About [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine

[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine (PubChem CID 105239989) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
PubChem CID105239989
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1ccccc1Br)NN)N1CCCCC1
InChIInChI=1S/C16H26BrN3/c1-16(2,20-10-6-3-7-11-20)15(19-18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15,19H,3,6-7,10-12,18H2,1-2H3
InChIKeyXTPJKQPPSXHQIU-UHFFFAOYSA-N
XLogP3.09
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.09
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

[1-(2-bromophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105242253
3-(azepan-1-yl)-1-(2-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 79051510
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105377853
[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 106271041
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239692
(3-methyl-3-piperidin-1-yl-1-thiophen-2-ylbutan-2-yl)hydrazine
CID 105239963
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274246
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133
[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239895

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine (CID 105239989) is [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine is CC(C)(C(Cc1ccccc1Br)NN)N1CCCCC1.
What is the InChIKey of [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The InChIKey is XTPJKQPPSXHQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-16(2,20-10-6-3-7-11-20)15(19-18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15,19H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine has a molecular weight of 340.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105239989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).