5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine

C17H32N2 — CID 64946001

IUPAC5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1CC=CCC1
InChIInChI=1S/C17H32N2/c1-5-15-11-18-16(17(2,3)4)13-19(15)12-14-9-7-6-8-10-14/h6-7,14-16,18H,5,8-13H2,1-4H3
InChIKeyCQZBAEXJXPQCGT-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.44
Rot. Bonds3

About 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine

5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine (PubChem CID 64946001) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
PubChem CID64946001
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1CC=CCC1
InChIInChI=1S/C17H32N2/c1-5-15-11-18-16(17(2,3)4)13-19(15)12-14-9-7-6-8-10-14/h6-7,14-16,18H,5,8-13H2,1-4H3
InChIKeyCQZBAEXJXPQCGT-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
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 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine?
The IUPAC name of 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine (CID 64946001) is 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine is CCC1CNC(C(C)(C)C)CN1CC1CC=CCC1.
What is the InChIKey of 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine?
The InChIKey is CQZBAEXJXPQCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-15-11-18-16(17(2,3)4)13-19(15)12-14-9-7-6-8-10-14/h6-7,14-16,18H,5,8-13H2,1-4H3.
What are the key properties of 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine?
5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine has a molecular weight of 264.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine is sourced from PubChem (CID 64946001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).