(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol

C19H26NO3+ — CID 7560613

IUPAC(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol
SMILESC=CC[C@@]1(O)C[C@@H](c2ccco2)[NH2+][C@H](c2ccco2)[C@@H]1CCC
InChIInChI=1S/C19H25NO3/c1-3-7-14-18(17-9-6-12-23-17)20-15(16-8-5-11-22-16)13-19(14,21)10-4-2/h4-6,8-9,11-12,14-15,18,20-21H,2-3,7,10,13H2,1H3/p+1/t14-,15-,18-,19+/m0/s1
InChIKeyHAJGRIJELRSGMX-STEAMIEHSA-O
MW316.42 g/mol
LogP3.35
Rot. Bonds6

About (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol

(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol (PubChem CID 7560613) has the molecular formula C19H26NO3+ and a molecular weight of 316.42 g/mol. Its IUPAC name is (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol
PubChem CID7560613
Molecular FormulaC19H26NO3+
Molecular Weight316.42 g/mol
Exact Mass316.19
IUPAC Name(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol
SMILESC=CC[C@@]1(O)C[C@@H](c2ccco2)[NH2+][C@H](c2ccco2)[C@@H]1CCC
InChIInChI=1S/C19H25NO3/c1-3-7-14-18(17-9-6-12-23-17)20-15(16-8-5-11-22-16)13-19(14,21)10-4-2/h4-6,8-9,11-12,14-15,18,20-21H,2-3,7,10,13H2,1H3/p+1/t14-,15-,18-,19+/m0/s1
InChIKeyHAJGRIJELRSGMX-STEAMIEHSA-O
XLogP3.35
TPSA63.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol
CID 4921181
(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
CID 7560607
(2R,3R,4R,6S)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 7177283
(2R,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281613
(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 40627379
(2S,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281617
(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
(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
2-ethyl-1-(furan-2-yl)cyclopropan-1-ol
CID 79332229
(2S,3S,4R,6S)-2,6-diphenyl-3-propan-2-yl-4-propylpiperidin-1-ium-4-ol
CID 11876586

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol (CID 7560613) is (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol is C=CC[C@@]1(O)C[C@@H](c2ccco2)[NH2+][C@H](c2ccco2)[C@@H]1CCC.
What is the InChIKey of (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol?
The InChIKey is HAJGRIJELRSGMX-STEAMIEHSA-O. The full InChI is InChI=1S/C19H25NO3/c1-3-7-14-18(17-9-6-12-23-17)20-15(16-8-5-11-22-16)13-19(14,21)10-4-2/h4-6,8-9,11-12,14-15,18,20-21H,2-3,7,10,13H2,1H3/p+1/t14-,15-,18-,19+/m0/s1.
What are the key properties of (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol?
(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol has a molecular weight of 316.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7560613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).