2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol

C17H24NO3+ — CID 4921181

IUPAC2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol
SMILESCCCC1C(c2ccco2)[NH2+]C(c2ccco2)CC1(C)O
InChIInChI=1S/C17H23NO3/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3/p+1
InChIKeyKRWCRLSHEPHBQC-UHFFFAOYSA-O
MW290.38 g/mol
LogP2.79
Rot. Bonds4

About 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol

2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol (PubChem CID 4921181) has the molecular formula C17H24NO3+ and a molecular weight of 290.38 g/mol. Its IUPAC name is 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol
PubChem CID4921181
Molecular FormulaC17H24NO3+
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol
SMILESCCCC1C(c2ccco2)[NH2+]C(c2ccco2)CC1(C)O
InChIInChI=1S/C17H23NO3/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3/p+1
InChIKeyKRWCRLSHEPHBQC-UHFFFAOYSA-O
XLogP2.79
TPSA63.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol
CID 7560613
(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 40627379
(2R,3R,4R,6S)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 7177283
(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
CID 7310286
(2R,3R,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
CID 7310281
(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
CID 7560607
(NE)-N-[(2R,3R,6S)-2,6-bis(furan-2-yl)-3-methylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7340420
2-(4-propylcyclohexyl)furan
CID 174853183
(2R,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281613
(2S,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281617
2-ethyl-1-(furan-2-yl)cyclopropan-1-ol
CID 79332229
1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone
CID 101338916

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol?
The IUPAC name of 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol (CID 4921181) is 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol.
What is the SMILES notation for 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol?
The canonical SMILES for 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol is CCCC1C(c2ccco2)[NH2+]C(c2ccco2)CC1(C)O.
What is the InChIKey of 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol?
The InChIKey is KRWCRLSHEPHBQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23NO3/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3/p+1.
What are the key properties of 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol?
2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol has a molecular weight of 290.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol is sourced from PubChem (CID 4921181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).