(3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine

C19H25NO3 — CID 97422457

IUPAC(3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C[C@H]2CN(Cc3ccoc3)CC[C@H]2OC)cc1
InChIInChI=1S/C19H25NO3/c1-21-18-5-3-15(4-6-18)11-17-13-20(9-7-19(17)22-2)12-16-8-10-23-14-16/h3-6,8,10,14,17,19H,7,9,11-13H2,1-2H3/t17-,19+/m0/s1
InChIKeyNREKRLKYPKSBJZ-PKOBYXMFSA-N
MW315.41 g/mol
LogP3.37
Rot. Bonds6

About (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine

(3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 97422457) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine
PubChem CID97422457
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C[C@H]2CN(Cc3ccoc3)CC[C@H]2OC)cc1
InChIInChI=1S/C19H25NO3/c1-21-18-5-3-15(4-6-18)11-17-13-20(9-7-19(17)22-2)12-16-8-10-23-14-16/h3-6,8,10,14,17,19H,7,9,11-13H2,1-2H3/t17-,19+/m0/s1
InChIKeyNREKRLKYPKSBJZ-PKOBYXMFSA-N
XLogP3.37
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine (CID 97422457) is (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine is COc1ccc(C[C@H]2CN(Cc3ccoc3)CC[C@H]2OC)cc1.
What is the InChIKey of (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is NREKRLKYPKSBJZ-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H25NO3/c1-21-18-5-3-15(4-6-18)11-17-13-20(9-7-19(17)22-2)12-16-8-10-23-14-16/h3-6,8,10,14,17,19H,7,9,11-13H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine?
(3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine has a molecular weight of 315.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(furan-3-ylmethyl)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 97422457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).