4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol

C14H19BrFNO — CID 54971410

IUPAC4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-2-17-7-5-14(18,6-8-17)10-11-3-4-13(16)12(15)9-11/h3-4,9,18H,2,5-8,10H2,1H3
InChIKeyRQUPVVVBSBYLNR-UHFFFAOYSA-N
MW316.21 g/mol
LogP2.98
Rot. Bonds3

About 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol

4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 54971410) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID54971410
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-2-17-7-5-14(18,6-8-17)10-11-3-4-13(16)12(15)9-11/h3-4,9,18H,2,5-8,10H2,1H3
InChIKeyRQUPVVVBSBYLNR-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol (CID 54971410) is 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is RQUPVVVBSBYLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-2-17-7-5-14(18,6-8-17)10-11-3-4-13(16)12(15)9-11/h3-4,9,18H,2,5-8,10H2,1H3.
What are the key properties of 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol?
4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 316.21 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorophenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 54971410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).