1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine

C28H33F2N3O — CID 54425697

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine
SMILESCCCOc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H33F2N3O/c1-2-21-34-27-6-3-15-31-28(27)33-19-17-32(18-20-33)16-4-5-26(22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h3,6-15,26H,2,4-5,16-21H2,1H3
InChIKeyWDXKGONANNOUJA-UHFFFAOYSA-N
MW465.59 g/mol
LogP5.88
Rot. Bonds10

About 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine

1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine (PubChem CID 54425697) has the molecular formula C28H33F2N3O and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine
PubChem CID54425697
Molecular FormulaC28H33F2N3O
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine
SMILESCCCOc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H33F2N3O/c1-2-21-34-27-6-3-15-31-28(27)33-19-17-32(18-20-33)16-4-5-26(22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h3,6-15,26H,2,4-5,16-21H2,1H3
InChIKeyWDXKGONANNOUJA-UHFFFAOYSA-N
XLogP5.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Rbi 257
CID 5041
U 101958
CID 5615
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
3-{[3-(Trifluoromethyl)benzyl]oxy}-2-pyridinamine
CID 1485767
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine (CID 54425697) is 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine is CCCOc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine?
The InChIKey is WDXKGONANNOUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O/c1-2-21-34-27-6-3-15-31-28(27)33-19-17-32(18-20-33)16-4-5-26(22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h3,6-15,26H,2,4-5,16-21H2,1H3.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine?
1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine has a molecular weight of 465.59 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-propoxy-2-pyridinyl)piperazine is sourced from PubChem (CID 54425697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).