(2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine

C13H24N2 — CID 167025737

IUPAC(2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine
SMILESC=C[C@H]1CN(C(C)(C)C)[C@@H](C=C)CN1C
InChIInChI=1S/C13H24N2/c1-7-11-10-15(13(3,4)5)12(8-2)9-14(11)6/h7-8,11-12H,1-2,9-10H2,3-6H3/t11-,12-/m0/s1
InChIKeySZAWTCQGUGBBIQ-RYUDHWBXSA-N
MW208.35 g/mol
LogP2.14
Rot. Bonds2

About (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine

(2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine (PubChem CID 167025737) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine.

Molecular Properties

Compound Name(2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine
PubChem CID167025737
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine
SMILESC=C[C@H]1CN(C(C)(C)C)[C@@H](C=C)CN1C
InChIInChI=1S/C13H24N2/c1-7-11-10-15(13(3,4)5)12(8-2)9-14(11)6/h7-8,11-12H,1-2,9-10H2,3-6H3/t11-,12-/m0/s1
InChIKeySZAWTCQGUGBBIQ-RYUDHWBXSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine?
The IUPAC name of (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine (CID 167025737) is (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine.
What is the SMILES notation for (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine?
The canonical SMILES for (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine is C=C[C@H]1CN(C(C)(C)C)[C@@H](C=C)CN1C.
What is the InChIKey of (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine?
The InChIKey is SZAWTCQGUGBBIQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-11-10-15(13(3,4)5)12(8-2)9-14(11)6/h7-8,11-12H,1-2,9-10H2,3-6H3/t11-,12-/m0/s1.
What are the key properties of (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine?
(2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-tert-butyl-2,5-bis(ethenyl)-4-methylpiperazine is sourced from PubChem (CID 167025737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).