3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol

C19H27FN2O2 — CID 18467342

IUPAC3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
SMILESCCC(O)(CC)CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-19(23,4-2)9-12-22-10-7-14(8-11-22)18-16-6-5-15(20)13-17(16)24-21-18/h5-6,13-14,23H,3-4,7-12H2,1-2H3
InChIKeyWPJCCNDFKKOMJI-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.09
Rot. Bonds6

About 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol

3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol (PubChem CID 18467342) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol.

Molecular Properties

Compound Name3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
PubChem CID18467342
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
SMILESCCC(O)(CC)CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C19H27FN2O2/c1-3-19(23,4-2)9-12-22-10-7-14(8-11-22)18-16-6-5-15(20)13-17(16)24-21-18/h5-6,13-14,23H,3-4,7-12H2,1-2H3
InChIKeyWPJCCNDFKKOMJI-UHFFFAOYSA-N
XLogP4.09
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Isoindoline, 8
CID 44215124
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazole-6-carboxamide
CID 10451362
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3-Methyl-1,2-benzoxazole
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Isoindoline, 12
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Isoindoline, 11
CID 57339693
Isoindoline, 15
CID 57339697

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol?
The IUPAC name of 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol (CID 18467342) is 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol.
What is the SMILES notation for 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol?
The canonical SMILES for 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol is CCC(O)(CC)CCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol?
The InChIKey is WPJCCNDFKKOMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-19(23,4-2)9-12-22-10-7-14(8-11-22)18-16-6-5-15(20)13-17(16)24-21-18/h5-6,13-14,23H,3-4,7-12H2,1-2H3.
What are the key properties of 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol?
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol has a molecular weight of 334.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol is sourced from PubChem (CID 18467342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).