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

C14H19ClFNO — CID 114510405

IUPAC4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFNO/c1-2-11-9-17-7-6-14(11,18)8-10-4-3-5-12(16)13(10)15/h3-5,11,17-18H,2,6-9H2,1H3
InChIKeyXUDKFJMLPIFASF-UHFFFAOYSA-N
MW271.76 g/mol
LogP2.77
Rot. Bonds3

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

4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol (PubChem CID 114510405) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol
PubChem CID114510405
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFNO/c1-2-11-9-17-7-6-14(11,18)8-10-4-3-5-12(16)13(10)15/h3-5,11,17-18H,2,6-9H2,1H3
InChIKeyXUDKFJMLPIFASF-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol (CID 114510405) is 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol is CCC1CNCCC1(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol?
The InChIKey is XUDKFJMLPIFASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-2-11-9-17-7-6-14(11,18)8-10-4-3-5-12(16)13(10)15/h3-5,11,17-18H,2,6-9H2,1H3.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol?
4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol has a molecular weight of 271.76 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114510405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).