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

C20H22ClF2NO — CID 23724054

IUPAC[3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2cccc(Cl)c2)CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-4-1-3-15(9-17)11-20(14-25)7-2-8-24(13-20)12-16-5-6-18(22)19(23)10-16/h1,3-6,9-10,25H,2,7-8,11-14H2
InChIKeyKZTKXZIOLSXXMP-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.44
Rot. Bonds5

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

[3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 23724054) has the molecular formula C20H22ClF2NO and a molecular weight of 365.85 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID23724054
Molecular FormulaC20H22ClF2NO
Molecular Weight365.85 g/mol
Exact Mass365.14
IUPAC Name[3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2cccc(Cl)c2)CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-4-1-3-15(9-17)11-20(14-25)7-2-8-24(13-20)12-16-5-6-18(22)19(23)10-16/h1,3-6,9-10,25H,2,7-8,11-14H2
InChIKeyKZTKXZIOLSXXMP-UHFFFAOYSA-N
XLogP4.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol (CID 23724054) is [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2cccc(Cl)c2)CCCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is KZTKXZIOLSXXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2NO/c21-17-4-1-3-15(9-17)11-20(14-25)7-2-8-24(13-20)12-16-5-6-18(22)19(23)10-16/h1,3-6,9-10,25H,2,7-8,11-14H2.
What are the key properties of [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
[3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 365.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 23724054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).