1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol

C13H17ClFNO — CID 105357465

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C13H17ClFNO/c1-9-4-5-16(8-13(9)17)7-10-2-3-11(14)6-12(10)15/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyRJESHVBATMHMKS-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.68
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol

1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol (PubChem CID 105357465) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
PubChem CID105357465
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C13H17ClFNO/c1-9-4-5-16(8-13(9)17)7-10-2-3-11(14)6-12(10)15/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyRJESHVBATMHMKS-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 134714356
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 103898107
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
3-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841985
1-[(4-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959961
1-[(4-chloro-2-fluorophenyl)methyl]-3-ethylpiperazine
CID 114860278
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092
1-[(4-chloro-2-fluorophenyl)methyl]-3-ethylpiperidin-4-one
CID 114849233
4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
CID 131930506

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol (CID 105357465) is 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol is CC1CCN(Cc2ccc(Cl)cc2F)CC1O.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is RJESHVBATMHMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-9-4-5-16(8-13(9)17)7-10-2-3-11(14)6-12(10)15/h2-3,6,9,13,17H,4-5,7-8H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 257.74 g/mol, XLogP of 2.68, 2 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]-4-methylpiperidin-3-ol is sourced from PubChem (CID 105357465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).