4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol

C15H18ClNO2 — CID 114724944

IUPAC4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H18ClNO2/c1-2-11-9-17-6-5-15(11,18)14-8-10-7-12(16)3-4-13(10)19-14/h3-4,7-8,11,17-18H,2,5-6,9H2,1H3
InChIKeyRIEARIDMIYAOSB-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.29
Rot. Bonds2

About 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol

4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol (PubChem CID 114724944) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol
PubChem CID114724944
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H18ClNO2/c1-2-11-9-17-6-5-15(11,18)14-8-10-7-12(16)3-4-13(10)19-14/h3-4,7-8,11,17-18H,2,5-6,9H2,1H3
InChIKeyRIEARIDMIYAOSB-UHFFFAOYSA-N
XLogP3.29
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol (CID 114724944) is 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol is CCC1CNCCC1(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol?
The InChIKey is RIEARIDMIYAOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-11-9-17-6-5-15(11,18)14-8-10-7-12(16)3-4-13(10)19-14/h3-4,7-8,11,17-18H,2,5-6,9H2,1H3.
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol?
4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol has a molecular weight of 279.77 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-benzofuran-2-yl)-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114724944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).