3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol

C18H23NO2 — CID 11778696

IUPAC3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(Cc2ccco2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C18H23NO2/c1-14-12-19(13-17-7-4-10-21-17)9-8-18(14,2)15-5-3-6-16(20)11-15/h3-7,10-11,14,20H,8-9,12-13H2,1-2H3/t14-,18+/m0/s1
InChIKeyWDGFJRLYWYWLLP-KBXCAEBGSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds3

About 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 11778696) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID11778696
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(Cc2ccco2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C18H23NO2/c1-14-12-19(13-17-7-4-10-21-17)9-8-18(14,2)15-5-3-6-16(20)11-15/h3-7,10-11,14,20H,8-9,12-13H2,1-2H3/t14-,18+/m0/s1
InChIKeyWDGFJRLYWYWLLP-KBXCAEBGSA-N
XLogP3.78
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol (CID 11778696) is 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol is C[C@H]1CN(Cc2ccco2)CC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is WDGFJRLYWYWLLP-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-12-19(13-17-7-4-10-21-17)9-8-18(14,2)15-5-3-6-16(20)11-15/h3-7,10-11,14,20H,8-9,12-13H2,1-2H3/t14-,18+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-(furan-2-ylmethyl)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 11778696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).