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

C17H23NO3 — CID 40627379

IUPAC(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
SMILESCCC[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)C[C@@]1(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/t12-,13-,16-,17-/m1/s1
InChIKeyKRWCRLSHEPHBQC-BQGCOEIASA-N
MW289.37 g/mol
LogP3.82
Rot. Bonds4

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

(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol (PubChem CID 40627379) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
PubChem CID40627379
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
SMILESCCC[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)C[C@@]1(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/t12-,13-,16-,17-/m1/s1
InChIKeyKRWCRLSHEPHBQC-BQGCOEIASA-N
XLogP3.82
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol with MolForge

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Related Compounds

(2R,3R,4R,6S)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 7177283
(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
CID 7560607
2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol
CID 4921181
(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one
CID 1239416
(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol
CID 7560613
(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 6543489
3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
CID 66231336
2-(4-propylcyclohexyl)furan
CID 174853183
3-(furan-2-yl)-1,2-oxazolidine
CID 174175467
(3R)-3-(furan-2-yl)-1,2-oxazolidine
CID 166135335
4-(furan-2-ylmethyl)-2-propyloxan-4-ol
CID 83171634
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 (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol?
The IUPAC name of (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol (CID 40627379) is (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol.
What is the SMILES notation for (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol?
The canonical SMILES for (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol is CCC[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)C[C@@]1(C)O.
What is the InChIKey of (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol?
The InChIKey is KRWCRLSHEPHBQC-BQGCOEIASA-N. 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/t12-,13-,16-,17-/m1/s1.
What are the key properties of (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol?
(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol has a molecular weight of 289.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol is sourced from PubChem (CID 40627379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).