[3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol

C22H27F2NO — CID 45251706

IUPAC[3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol
SMILESCCc1ccc(CN2CCCC(CO)(Cc3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C22H27F2NO/c1-2-17-4-6-18(7-5-17)14-25-11-3-10-22(15-25,16-26)13-19-8-9-20(23)12-21(19)24/h4-9,12,26H,2-3,10-11,13-16H2,1H3
InChIKeyFDAAPVLQGHOBEH-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.34
Rot. Bonds6

About [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol

[3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 45251706) has the molecular formula C22H27F2NO and a molecular weight of 359.46 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID45251706
Molecular FormulaC22H27F2NO
Molecular Weight359.46 g/mol
Exact Mass359.21
IUPAC Name[3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol
SMILESCCc1ccc(CN2CCCC(CO)(Cc3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C22H27F2NO/c1-2-17-4-6-18(7-5-17)14-25-11-3-10-22(15-25,16-26)13-19-8-9-20(23)12-21(19)24/h4-9,12,26H,2-3,10-11,13-16H2,1H3
InChIKeyFDAAPVLQGHOBEH-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol (CID 45251706) is [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol is CCc1ccc(CN2CCCC(CO)(Cc3ccc(F)cc3F)C2)cc1.
What is the InChIKey of [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is FDAAPVLQGHOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO/c1-2-17-4-6-18(7-5-17)14-25-11-3-10-22(15-25,16-26)13-19-8-9-20(23)12-21(19)24/h4-9,12,26H,2-3,10-11,13-16H2,1H3.
What are the key properties of [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol?
[3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 359.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)methyl]-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45251706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).