3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine

C24H27F2N3O — CID 44529536

IUPAC3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCC(COC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C24H27F2N3O/c1-28-14-19(13-27-28)16-29-12-2-3-18(15-29)17-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,13-14,18,24H,2-3,12,15-17H2,1H3
InChIKeyHGOVRFKKNGWZRJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.72
Rot. Bonds7

About 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine

3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 44529536) has the molecular formula C24H27F2N3O and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID44529536
Molecular FormulaC24H27F2N3O
Molecular Weight411.50 g/mol
Exact Mass411.21
IUPAC Name3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCC(COC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C24H27F2N3O/c1-28-14-19(13-27-28)16-29-12-2-3-18(15-29)17-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,13-14,18,24H,2-3,12,15-17H2,1H3
InChIKeyHGOVRFKKNGWZRJ-UHFFFAOYSA-N
XLogP4.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 44529536) is 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is Cn1cc(CN2CCCC(COC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is HGOVRFKKNGWZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O/c1-28-14-19(13-27-28)16-29-12-2-3-18(15-29)17-30-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,13-14,18,24H,2-3,12,15-17H2,1H3.
What are the key properties of 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 411.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 44529536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).