1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine

C19H20ClF3N2 — CID 118119449

IUPAC1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClF3N2/c20-17-8-6-16(7-9-17)18(15-4-2-1-3-5-15)25-12-10-24(11-13-25)14-19(21,22)23/h1-9,18H,10-14H2/t18-/m0/s1
InChIKeyFUAYDGSDEDQIEE-SFHVURJKSA-N
MW368.83 g/mol
LogP4.61
Rot. Bonds4

About 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 118119449) has the molecular formula C19H20ClF3N2 and a molecular weight of 368.83 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID118119449
Molecular FormulaC19H20ClF3N2
Molecular Weight368.83 g/mol
Exact Mass368.13
IUPAC Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClF3N2/c20-17-8-6-16(7-9-17)18(15-4-2-1-3-5-15)25-12-10-24(11-13-25)14-19(21,22)23/h1-9,18H,10-14H2/t18-/m0/s1
InChIKeyFUAYDGSDEDQIEE-SFHVURJKSA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 118119449) is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is FUAYDGSDEDQIEE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClF3N2/c20-17-8-6-16(7-9-17)18(15-4-2-1-3-5-15)25-12-10-24(11-13-25)14-19(21,22)23/h1-9,18H,10-14H2/t18-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 368.83 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 118119449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).