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

C20H22ClF2NO — CID 45189123

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-6-3-8-19(23)16(17)12-24-10-4-9-20(13-24,14-25)11-15-5-1-2-7-18(15)22/h1-3,5-8,25H,4,9-14H2
InChIKeyACVPYICRJIHCSD-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.44
Rot. Bonds5

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

[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 45189123) has the molecular formula C20H22ClF2NO and a molecular weight of 365.85 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID45189123
Molecular FormulaC20H22ClF2NO
Molecular Weight365.85 g/mol
Exact Mass365.14
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-6-3-8-19(23)16(17)12-24-10-4-9-20(13-24,14-25)11-15-5-1-2-7-18(15)22/h1-3,5-8,25H,4,9-14H2
InChIKeyACVPYICRJIHCSD-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

[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45244979
[1-(2,3-dihydro-1H-inden-2-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45240458
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165198
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 45189123) is [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2ccccc2F)CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is ACVPYICRJIHCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2NO/c21-17-6-3-8-19(23)16(17)12-24-10-4-9-20(13-24,14-25)11-15-5-1-2-7-18(15)22/h1-3,5-8,25H,4,9-14H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)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 [1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45189123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).