1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine

C23H29F2N3O — CID 23723692

IUPAC1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine
SMILESCOc1cc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F
InChIInChI=1S/C23H29F2N3O/c1-29-23-15-18(4-9-22(23)25)16-26-10-2-3-21(17-26)28-13-11-27(12-14-28)20-7-5-19(24)6-8-20/h4-9,15,21H,2-3,10-14,16-17H2,1H3
InChIKeyKFUBOLGRZBKLLL-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.76
Rot. Bonds5

About 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine

1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine (PubChem CID 23723692) has the molecular formula C23H29F2N3O and a molecular weight of 401.50 g/mol. Its IUPAC name is 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine
PubChem CID23723692
Molecular FormulaC23H29F2N3O
Molecular Weight401.50 g/mol
Exact Mass401.23
IUPAC Name1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine
SMILESCOc1cc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F
InChIInChI=1S/C23H29F2N3O/c1-29-23-15-18(4-9-22(23)25)16-26-10-2-3-21(17-26)28-13-11-27(12-14-28)20-7-5-19(24)6-8-20/h4-9,15,21H,2-3,10-14,16-17H2,1H3
InChIKeyKFUBOLGRZBKLLL-UHFFFAOYSA-N
XLogP3.76
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine (CID 23723692) is 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine is COc1cc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F.
What is the InChIKey of 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine?
The InChIKey is KFUBOLGRZBKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O/c1-29-23-15-18(4-9-22(23)25)16-26-10-2-3-21(17-26)28-13-11-27(12-14-28)20-7-5-19(24)6-8-20/h4-9,15,21H,2-3,10-14,16-17H2,1H3.
What are the key properties of 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine?
1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine has a molecular weight of 401.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 23723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).