4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol

C14H19F2NO — CID 65147067

IUPAC4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2NO/c1-2-17-8-6-14(18,7-9-17)10-11-4-3-5-12(15)13(11)16/h3-5,18H,2,6-10H2,1H3
InChIKeyFVHCULSEDOWWPV-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.35
Rot. Bonds3

About 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol

4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 65147067) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID65147067
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2NO/c1-2-17-8-6-14(18,7-9-17)10-11-4-3-5-12(15)13(11)16/h3-5,18H,2,6-10H2,1H3
InChIKeyFVHCULSEDOWWPV-UHFFFAOYSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol (CID 65147067) is 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is FVHCULSEDOWWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-17-8-6-14(18,7-9-17)10-11-4-3-5-12(15)13(11)16/h3-5,18H,2,6-10H2,1H3.
What are the key properties of 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol?
4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 255.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 65147067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).