2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine

C13H24N2O — CID 154601178

IUPAC2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine
SMILESCC#C[C@H](C)OC1CNC(C(C)(C)C)CN1
InChIInChI=1S/C13H24N2O/c1-6-7-10(2)16-12-9-14-11(8-15-12)13(3,4)5/h10-12,14-15H,8-9H2,1-5H3/t10-,11?,12?/m0/s1
InChIKeyMEEYZOKYJQWVCA-UNXYVOJBSA-N
MW224.35 g/mol
LogP1.35
Rot. Bonds2

About 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine

2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine (PubChem CID 154601178) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine.

Molecular Properties

Compound Name2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine
PubChem CID154601178
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine
SMILESCC#C[C@H](C)OC1CNC(C(C)(C)C)CN1
InChIInChI=1S/C13H24N2O/c1-6-7-10(2)16-12-9-14-11(8-15-12)13(3,4)5/h10-12,14-15H,8-9H2,1-5H3/t10-,11?,12?/m0/s1
InChIKeyMEEYZOKYJQWVCA-UNXYVOJBSA-N
XLogP1.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
CID 154601254
2-tert-butyl-5-(2-methoxyethoxy)piperazine
CID 154601269
2-tert-butyl-5-(cyclobutylmethoxy)piperazine
CID 154601187
2-tert-butyl-5-chloropiperazine
CID 154601268
5-tert-butylpiperazine-2-carbonitrile
CID 154601249
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine
CID 154601270
2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole
CID 155004018
2-tert-butylpyrrolidine;methane
CID 174978961
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
3-tert-butyl-1-(2,2,3-trimethylbutyl)-1,4-diazepane
CID 114102135
3-tert-butyl-1-(1-methoxypropan-2-yl)-1,4-diazepane
CID 64940168

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine?
The IUPAC name of 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine (CID 154601178) is 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine.
What is the SMILES notation for 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine?
The canonical SMILES for 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine is CC#C[C@H](C)OC1CNC(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine?
The InChIKey is MEEYZOKYJQWVCA-UNXYVOJBSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-7-10(2)16-12-9-14-11(8-15-12)13(3,4)5/h10-12,14-15H,8-9H2,1-5H3/t10-,11?,12?/m0/s1.
What are the key properties of 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine?
2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine has a molecular weight of 224.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine is sourced from PubChem (CID 154601178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).