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

C13H17ClFNO — CID 114852550

IUPAC3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H17ClFNO/c1-16-6-2-5-13(17,9-16)8-10-3-4-11(14)7-12(10)15/h3-4,7,17H,2,5-6,8-9H2,1H3
InChIKeyAVOQPENGSZYHTO-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.48
Rot. Bonds2

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

3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol (PubChem CID 114852550) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
PubChem CID114852550
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H17ClFNO/c1-16-6-2-5-13(17,9-16)8-10-3-4-11(14)7-12(10)15/h3-4,7,17H,2,5-6,8-9H2,1H3
InChIKeyAVOQPENGSZYHTO-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
CID 114852276
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107408211
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
4-[(2-bromo-4-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 65153879
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 156606525

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol (CID 114852550) is 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol is CN1CCCC(O)(Cc2ccc(Cl)cc2F)C1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol?
The InChIKey is AVOQPENGSZYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-16-6-2-5-13(17,9-16)8-10-3-4-11(14)7-12(10)15/h3-4,7,17H,2,5-6,8-9H2,1H3.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol?
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol has a molecular weight of 257.74 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 114852550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).