(4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride

C24H31Cl2F2N3O — CID 3042354

IUPAC(4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(F)cc1)N1CCC(CCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H29F2N3O.2ClH/c25-21-3-1-20(2-4-21)24(30)29-13-10-19(11-14-29)9-12-27-15-17-28(18-16-27)23-7-5-22(26)6-8-23;;/h1-8,19H,9-18H2;2*1H
InChIKeyFJUBIJBHLKOYOX-UHFFFAOYSA-N
MW486.43 g/mol
LogP4.87
Rot. Bonds5

About (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride

(4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride (PubChem CID 3042354) has the molecular formula C24H31Cl2F2N3O and a molecular weight of 486.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride
PubChem CID3042354
Molecular FormulaC24H31Cl2F2N3O
Molecular Weight486.43 g/mol
Exact Mass485.18
IUPAC Name(4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(F)cc1)N1CCC(CCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H29F2N3O.2ClH/c25-21-3-1-20(2-4-21)24(30)29-13-10-19(11-14-29)9-12-27-15-17-28(18-16-27)23-7-5-22(26)6-8-23;;/h1-8,19H,9-18H2;2*1H
InChIKeyFJUBIJBHLKOYOX-UHFFFAOYSA-N
XLogP4.87
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride (CID 3042354) is (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(c1ccc(F)cc1)N1CCC(CCN2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is FJUBIJBHLKOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O.2ClH/c25-21-3-1-20(2-4-21)24(30)29-13-10-19(11-14-29)9-12-27-15-17-28(18-16-27)23-7-5-22(26)6-8-23;;/h1-8,19H,9-18H2;2*1H.
What are the key properties of (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride?
(4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 486.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 3042354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).