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

C19H25NO3 — CID 7560607

IUPAC(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
SMILESC=CC[C@@]1(O)C[C@@H](c2ccco2)N[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/t14-,15-,18+,19+/m0/s1
InChIKeyHAJGRIJELRSGMX-ILRDRHFLSA-N
MW315.41 g/mol
LogP4.37
Rot. Bonds6

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

(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol (PubChem CID 7560607) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
PubChem CID7560607
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
SMILESC=CC[C@@]1(O)C[C@@H](c2ccco2)N[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/t14-,15-,18+,19+/m0/s1
InChIKeyHAJGRIJELRSGMX-ILRDRHFLSA-N
XLogP4.37
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol?
The IUPAC name of (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol (CID 7560607) is (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol.
What is the SMILES notation for (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol?
The canonical SMILES for (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol is C=CC[C@@]1(O)C[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@@H]1CCC.
What is the InChIKey of (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol?
The InChIKey is HAJGRIJELRSGMX-ILRDRHFLSA-N. 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/t14-,15-,18+,19+/m0/s1.
What are the key properties of (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol?
(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol has a molecular weight of 315.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol is sourced from PubChem (CID 7560607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).