[3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol

C20H21F4NO — CID 23723683

IUPAC[3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(Cc2c(F)ccc(F)c2F)C1
InChIInChI=1S/C20H21F4NO/c21-16-5-2-1-4-14(16)10-20(13-26)8-3-9-25(12-20)11-15-17(22)6-7-18(23)19(15)24/h1-2,4-7,26H,3,8-13H2
InChIKeyIPXMRCMYAMWNGO-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.06
Rot. Bonds5

About [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol

[3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 23723683) has the molecular formula C20H21F4NO and a molecular weight of 367.39 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID23723683
Molecular FormulaC20H21F4NO
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name[3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(Cc2c(F)ccc(F)c2F)C1
InChIInChI=1S/C20H21F4NO/c21-16-5-2-1-4-14(16)10-20(13-26)8-3-9-25(12-20)11-15-17(22)6-7-18(23)19(15)24/h1-2,4-7,26H,3,8-13H2
InChIKeyIPXMRCMYAMWNGO-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol (CID 23723683) is [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2ccccc2F)CCCN(Cc2c(F)ccc(F)c2F)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is IPXMRCMYAMWNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4NO/c21-16-5-2-1-4-14(16)10-20(13-26)8-3-9-25(12-20)11-15-17(22)6-7-18(23)19(15)24/h1-2,4-7,26H,3,8-13H2.
What are the key properties of [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol?
[3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 367.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 23723683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).