1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine

C23H29F2N3 — CID 15984120

IUPAC1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(CCN3CCCC3)CC2)cc1
InChIInChI=1S/C23H29F2N3/c24-21-7-3-19(4-8-21)23(20-5-9-22(25)10-6-20)28-17-15-27(16-18-28)14-13-26-11-1-2-12-26/h3-10,23H,1-2,11-18H2
InChIKeyVFHWFWNFMSLODT-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.77
Rot. Bonds6

About 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine

1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 15984120) has the molecular formula C23H29F2N3 and a molecular weight of 385.50 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID15984120
Molecular FormulaC23H29F2N3
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(CCN3CCCC3)CC2)cc1
InChIInChI=1S/C23H29F2N3/c24-21-7-3-19(4-8-21)23(20-5-9-22(25)10-6-20)28-17-15-27(16-18-28)14-13-26-11-1-2-12-26/h3-10,23H,1-2,11-18H2
InChIKeyVFHWFWNFMSLODT-UHFFFAOYSA-N
XLogP3.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine (CID 15984120) is 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine is Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCN3CCCC3)CC2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is VFHWFWNFMSLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3/c24-21-7-3-19(4-8-21)23(20-5-9-22(25)10-6-20)28-17-15-27(16-18-28)14-13-26-11-1-2-12-26/h3-10,23H,1-2,11-18H2.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 385.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 15984120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).