1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

C23H29F2N3O — CID 23723845

IUPAC1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3c(F)cccc3F)C2)CC1
InChIInChI=1S/C23H29F2N3O/c1-29-23-10-3-2-9-22(23)28-14-12-27(13-15-28)18-6-5-11-26(16-18)17-19-20(24)7-4-8-21(19)25/h2-4,7-10,18H,5-6,11-17H2,1H3
InChIKeyRJPMDQVKKRSVAM-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.76
Rot. Bonds5

About 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 23723845) has the molecular formula C23H29F2N3O and a molecular weight of 401.50 g/mol. Its IUPAC name is 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID23723845
Molecular FormulaC23H29F2N3O
Molecular Weight401.50 g/mol
Exact Mass401.23
IUPAC Name1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3c(F)cccc3F)C2)CC1
InChIInChI=1S/C23H29F2N3O/c1-29-23-10-3-2-9-22(23)28-14-12-27(13-15-28)18-6-5-11-26(16-18)17-19-20(24)7-4-8-21(19)25/h2-4,7-10,18H,5-6,11-17H2,1H3
InChIKeyRJPMDQVKKRSVAM-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-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine (CID 23723845) is 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C2CCCN(Cc3c(F)cccc3F)C2)CC1.
What is the InChIKey of 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is RJPMDQVKKRSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O/c1-29-23-10-3-2-9-22(23)28-14-12-27(13-15-28)18-6-5-11-26(16-18)17-19-20(24)7-4-8-21(19)25/h2-4,7-10,18H,5-6,11-17H2,1H3.
What are the key properties of 1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)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-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 23723845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).