1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol

C14H19BrFNO2 — CID 119039460

IUPAC1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCOc2cc(F)cc(Br)c2)CCC1O
InChIInChI=1S/C14H19BrFNO2/c1-10-9-17(3-2-14(10)18)4-5-19-13-7-11(15)6-12(16)8-13/h6-8,10,14,18H,2-5,9H2,1H3
InChIKeyPAXOZKRRVZBWSD-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol

1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol (PubChem CID 119039460) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
PubChem CID119039460
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCOc2cc(F)cc(Br)c2)CCC1O
InChIInChI=1S/C14H19BrFNO2/c1-10-9-17(3-2-14(10)18)4-5-19-13-7-11(15)6-12(16)8-13/h6-8,10,14,18H,2-5,9H2,1H3
InChIKeyPAXOZKRRVZBWSD-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
CID 120966058
[1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120966074
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120966208
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966166
1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol (CID 119039460) is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol is CC1CN(CCOc2cc(F)cc(Br)c2)CCC1O.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol?
The InChIKey is PAXOZKRRVZBWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-10-9-17(3-2-14(10)18)4-5-19-13-7-11(15)6-12(16)8-13/h6-8,10,14,18H,2-5,9H2,1H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol?
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol has a molecular weight of 332.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 119039460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).