(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine

C20H32N2 — CID 129258358

IUPAC(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine
SMILESC=C(CC)N1[C@H](C)CN(c2ccc(C(C)(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C20H32N2/c1-8-15(2)22-16(3)13-21(14-17(22)4)19-11-9-18(10-12-19)20(5,6)7/h9-12,16-17H,2,8,13-14H2,1,3-7H3/t16-,17+
InChIKeyIIMIWCXAJXDYQW-CALCHBBNSA-N
MW300.49 g/mol
LogP4.81
Rot. Bonds3

About (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine

(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine (PubChem CID 129258358) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine
PubChem CID129258358
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine
SMILESC=C(CC)N1[C@H](C)CN(c2ccc(C(C)(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C20H32N2/c1-8-15(2)22-16(3)13-21(14-17(22)4)19-11-9-18(10-12-19)20(5,6)7/h9-12,16-17H,2,8,13-14H2,1,3-7H3/t16-,17+
InChIKeyIIMIWCXAJXDYQW-CALCHBBNSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine?
The IUPAC name of (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine (CID 129258358) is (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine.
What is the SMILES notation for (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine?
The canonical SMILES for (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine is C=C(CC)N1[C@H](C)CN(c2ccc(C(C)(C)C)cc2)C[C@@H]1C.
What is the InChIKey of (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine?
The InChIKey is IIMIWCXAJXDYQW-CALCHBBNSA-N. The full InChI is InChI=1S/C20H32N2/c1-8-15(2)22-16(3)13-21(14-17(22)4)19-11-9-18(10-12-19)20(5,6)7/h9-12,16-17H,2,8,13-14H2,1,3-7H3/t16-,17+.
What are the key properties of (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine?
(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine has a molecular weight of 300.49 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 129258358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).