5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine

C15H29F3N2 — CID 64847087

IUPAC5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC(C)C1CN(CCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C15H29F3N2/c1-6-11(2)12-10-20(8-7-15(16,17)18)13(9-19-12)14(3,4)5/h11-13,19H,6-10H2,1-5H3
InChIKeyVVBYCRQNYVLBQR-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.67
Rot. Bonds4

About 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine

5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64847087) has the molecular formula C15H29F3N2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64847087
Molecular FormulaC15H29F3N2
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC Name5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC(C)C1CN(CCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C15H29F3N2/c1-6-11(2)12-10-20(8-7-15(16,17)18)13(9-19-12)14(3,4)5/h11-13,19H,6-10H2,1-5H3
InChIKeyVVBYCRQNYVLBQR-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64845759
2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine
CID 115518959
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
CID 65462273
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
CID 64849982
5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
CID 64847284
2-tert-butyl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64838851
5-butan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64847845
3-butan-2-yl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64858415

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64847087) is 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine is CCC(C)C1CN(CCC(F)(F)F)C(C(C)(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is VVBYCRQNYVLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-6-11(2)12-10-20(8-7-15(16,17)18)13(9-19-12)14(3,4)5/h11-13,19H,6-10H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine?
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 294.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64847087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).