1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine

C26H29F2N3 — CID 25164681

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESFc1ccc(C(CCCN2CCN(Cc3ccccn3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29F2N3/c27-23-10-6-21(7-11-23)26(22-8-12-24(28)13-9-22)5-3-15-30-16-18-31(19-17-30)20-25-4-1-2-14-29-25/h1-2,4,6-14,26H,3,5,15-20H2
InChIKeyVLNPGNZEBNQHJF-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.09
Rot. Bonds8

About 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine

1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 25164681) has the molecular formula C26H29F2N3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID25164681
Molecular FormulaC26H29F2N3
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESFc1ccc(C(CCCN2CCN(Cc3ccccn3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29F2N3/c27-23-10-6-21(7-11-23)26(22-8-12-24(28)13-9-22)5-3-15-30-16-18-31(19-17-30)20-25-4-1-2-14-29-25/h1-2,4,6-14,26H,3,5,15-20H2
InChIKeyVLNPGNZEBNQHJF-UHFFFAOYSA-N
XLogP5.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 134055256
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxamide
CID 10026785
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 14098744
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 54670950
1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine
CID 56509108
benzyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate;hydrochloride
CID 172792056
(2R)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 3072712
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
2-phenylethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate
CID 22923300
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine (CID 25164681) is 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine is Fc1ccc(C(CCCN2CCN(Cc3ccccn3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is VLNPGNZEBNQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3/c27-23-10-6-21(7-11-23)26(22-8-12-24(28)13-9-22)5-3-15-30-16-18-31(19-17-30)20-25-4-1-2-14-29-25/h1-2,4,6-14,26H,3,5,15-20H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 421.54 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 25164681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).