[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol

C13H17ClFNO — CID 47035132

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H17ClFNO/c14-12-2-1-3-13(15)11(12)8-16-6-4-10(9-17)5-7-16/h1-3,10,17H,4-9H2
InChIKeyREZFOORFWGNCCM-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.68
Rot. Bonds3

About [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol (PubChem CID 47035132) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
PubChem CID47035132
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H17ClFNO/c14-12-2-1-3-13(15)11(12)8-16-6-4-10(9-17)5-7-16/h1-3,10,17H,4-9H2
InChIKeyREZFOORFWGNCCM-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381510
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171336100
4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
CID 171691361
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 25246880
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 60505494
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol (CID 47035132) is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is REZFOORFWGNCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-12-2-1-3-13(15)11(12)8-16-6-4-10(9-17)5-7-16/h1-3,10,17H,4-9H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol?
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 257.74 g/mol, XLogP of 2.68, 3 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]piperidin-4-yl]methanol is sourced from PubChem (CID 47035132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).