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

C13H17ClFNO — CID 114858032

IUPAC[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H17ClFNO/c14-12-2-1-11(13(15)7-12)8-16-5-3-10(9-17)4-6-16/h1-2,7,10,17H,3-6,8-9H2
InChIKeyYWFQWZHTJHQDCP-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.68
Rot. Bonds3

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

[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol (PubChem CID 114858032) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
PubChem CID114858032
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H17ClFNO/c14-12-2-1-11(13(15)7-12)8-16-5-3-10(9-17)4-6-16/h1-2,7,10,17H,3-6,8-9H2
InChIKeyYWFQWZHTJHQDCP-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

2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 134714356
4-fluoro-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452202
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
3-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841985
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol (CID 114858032) is [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is YWFQWZHTJHQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-12-2-1-11(13(15)7-12)8-16-5-3-10(9-17)4-6-16/h1-2,7,10,17H,3-6,8-9H2.
What are the key properties of [1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol?
[1-[(4-chloro-2-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-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 114858032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).