5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine

C16H30N2 — CID 113478280

IUPAC5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
SMILESC#CCC(CC)N1CC(C(C)(C)C)NCC1CC
InChIInChI=1S/C16H30N2/c1-7-10-13(8-2)18-12-15(16(4,5)6)17-11-14(18)9-3/h1,13-15,17H,8-12H2,2-6H3
InChIKeyCJFCOWZSBUSSIS-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds4

About 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine

5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine (PubChem CID 113478280) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
PubChem CID113478280
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
SMILESC#CCC(CC)N1CC(C(C)(C)C)NCC1CC
InChIInChI=1S/C16H30N2/c1-7-10-13(8-2)18-12-15(16(4,5)6)17-11-14(18)9-3/h1,13-15,17H,8-12H2,2-6H3
InChIKeyCJFCOWZSBUSSIS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine
CID 114202526
5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
CID 113478263
5-tert-butyl-2-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224574
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-2-ethyl-1-(4-ethylcyclohexyl)piperazine
CID 64948153
5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine
CID 64931431
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
CID 64941461
4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64935035
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242
5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
CID 82737366

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine (CID 113478280) is 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine is C#CCC(CC)N1CC(C(C)(C)C)NCC1CC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine?
The InChIKey is CJFCOWZSBUSSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-10-13(8-2)18-12-15(16(4,5)6)17-11-14(18)9-3/h1,13-15,17H,8-12H2,2-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine?
5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine is sourced from PubChem (CID 113478280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).