[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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Related Compounds

4-(4-{[3-(3-Chlorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol
CID 16191799
[1-(4-Fluorobenzyl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191979
{3-(3-Chlorobenzyl)-1-[3-(methylthio)benzyl]piperidin-3-yl}methanol
CID 16192460
[1-(2-Chloro-4-fluorobenzyl)-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 23723479
[1-(4-Chlorobenzyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23723640
[3-(2-Fluorobenzyl)-1-(2,3,6-trifluorobenzyl)-3-piperidinyl]methanol
CID 23723683
(+/-)-threo-N-3-Chlorobenzylmethylphenidate
CID 52942178
[4-Benzyl-1-(2,3-difluorobenzyl)-4-piperidinyl]methanol
CID 16191556
[3-(2-Fluorobenzyl)-1-(2-phenylethyl)piperidin-3-yl]methanol
CID 23723607
[4-(4-Chlorobenzyl)-1-(2-fluorobenzyl)-4-piperidinyl]methanol
CID 16188990
[1-(2-Chlorobenzyl)-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16190448
[4-(4-Chlorobenzyl)-1-(3,4-difluorobenzyl)piperidin-4-yl]methanol
CID 16190744

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).