(3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine

C18H23NO2 — CID 97422375

IUPAC(3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine
SMILESCO[C@@H]1CCN(Cc2ccoc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-20-18-7-9-19(12-16-8-10-21-14-16)13-17(18)11-15-5-3-2-4-6-15/h2-6,8,10,14,17-18H,7,9,11-13H2,1H3/t17-,18+/m0/s1
InChIKeyVYVTZSODRBQMKQ-ZWKOTPCHSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds5

About (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine

(3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine (PubChem CID 97422375) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine.

Molecular Properties

Compound Name(3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine
PubChem CID97422375
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine
SMILESCO[C@@H]1CCN(Cc2ccoc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-20-18-7-9-19(12-16-8-10-21-14-16)13-17(18)11-15-5-3-2-4-6-15/h2-6,8,10,14,17-18H,7,9,11-13H2,1H3/t17-,18+/m0/s1
InChIKeyVYVTZSODRBQMKQ-ZWKOTPCHSA-N
XLogP3.36
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine?
The IUPAC name of (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine (CID 97422375) is (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine.
What is the SMILES notation for (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine?
The canonical SMILES for (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine is CO[C@@H]1CCN(Cc2ccoc2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine?
The InChIKey is VYVTZSODRBQMKQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-18-7-9-19(12-16-8-10-21-14-16)13-17(18)11-15-5-3-2-4-6-15/h2-6,8,10,14,17-18H,7,9,11-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine?
(3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine has a molecular weight of 285.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-benzyl-1-(furan-3-ylmethyl)-4-methoxypiperidine is sourced from PubChem (CID 97422375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).