3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol

C12H23F3N2O — CID 62966552

IUPAC3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
SMILESCC(C)(C)C(O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-11(2,3)10(18)8-16-4-6-17(7-5-16)9-12(13,14)15/h10,18H,4-9H2,1-3H3
InChIKeyYADNADWEBWQDJJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds3

About 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol

3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol (PubChem CID 62966552) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
PubChem CID62966552
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
SMILESCC(C)(C)C(O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-11(2,3)10(18)8-16-4-6-17(7-5-16)9-12(13,14)15/h10,18H,4-9H2,1-3H3
InChIKeyYADNADWEBWQDJJ-UHFFFAOYSA-N
XLogP1.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol (CID 62966552) is 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol is CC(C)(C)C(O)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
The InChIKey is YADNADWEBWQDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(2,3)10(18)8-16-4-6-17(7-5-16)9-12(13,14)15/h10,18H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 62966552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).