1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine

C24H31F3N2O2 — CID 70202011

IUPAC1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine
SMILESCC(C)(COCc1ccccc1)CN1CCN(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C24H31F3N2O2/c1-23(2,18-30-16-20-8-4-3-5-9-20)17-28-12-14-29(15-13-28)21-10-6-7-11-22(21)31-19-24(25,26)27/h3-11H,12-19H2,1-2H3
InChIKeySATWWNUIZMDGQP-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.99
Rot. Bonds9

About 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine

1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine (PubChem CID 70202011) has the molecular formula C24H31F3N2O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine
PubChem CID70202011
Molecular FormulaC24H31F3N2O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine
SMILESCC(C)(COCc1ccccc1)CN1CCN(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C24H31F3N2O2/c1-23(2,18-30-16-20-8-4-3-5-9-20)17-28-12-14-29(15-13-28)21-10-6-7-11-22(21)31-19-24(25,26)27/h3-11H,12-19H2,1-2H3
InChIKeySATWWNUIZMDGQP-UHFFFAOYSA-N
XLogP4.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine?
The IUPAC name of 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine (CID 70202011) is 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine.
What is the SMILES notation for 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine?
The canonical SMILES for 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine is CC(C)(COCc1ccccc1)CN1CCN(c2ccccc2OCC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine?
The InChIKey is SATWWNUIZMDGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O2/c1-23(2,18-30-16-20-8-4-3-5-9-20)17-28-12-14-29(15-13-28)21-10-6-7-11-22(21)31-19-24(25,26)27/h3-11H,12-19H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine?
1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine has a molecular weight of 436.52 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-phenylmethoxypropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine is sourced from PubChem (CID 70202011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).