1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine

C16H21F3N2O3S — CID 91265545

IUPAC1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine
SMILESO=S(=O)(N1CCN(c2ccc(OC3CCCC3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)25(22,23)21-11-9-20(10-12-21)13-5-7-15(8-6-13)24-14-3-1-2-4-14/h5-8,14H,1-4,9-12H2
InChIKeyJYYANWJTXNNAED-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine

1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine (PubChem CID 91265545) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine
PubChem CID91265545
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine
SMILESO=S(=O)(N1CCN(c2ccc(OC3CCCC3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)25(22,23)21-11-9-20(10-12-21)13-5-7-15(8-6-13)24-14-3-1-2-4-14/h5-8,14H,1-4,9-12H2
InChIKeyJYYANWJTXNNAED-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine (CID 91265545) is 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine is O=S(=O)(N1CCN(c2ccc(OC3CCCC3)cc2)CC1)C(F)(F)F.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine?
The InChIKey is JYYANWJTXNNAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c17-16(18,19)25(22,23)21-11-9-20(10-12-21)13-5-7-15(8-6-13)24-14-3-1-2-4-14/h5-8,14H,1-4,9-12H2.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine?
1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine has a molecular weight of 378.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine is sourced from PubChem (CID 91265545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).