[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

C21H29NO3 — CID 25449478

IUPAC[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOCc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)o1
InChIInChI=1S/C21H29NO3/c1-24-15-20-9-8-19(25-20)14-22-13-5-11-21(16-22,17-23)12-10-18-6-3-2-4-7-18/h2-4,6-9,23H,5,10-17H2,1H3/t21-/m0/s1
InChIKeyJXOVYWFJGZSNCS-NRFANRHFSA-N
MW343.47 g/mol
LogP3.63
Rot. Bonds8

About [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 25449478) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID25449478
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOCc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)o1
InChIInChI=1S/C21H29NO3/c1-24-15-20-9-8-19(25-20)14-22-13-5-11-21(16-22,17-23)12-10-18-6-3-2-4-7-18/h2-4,6-9,23H,5,10-17H2,1H3/t21-/m0/s1
InChIKeyJXOVYWFJGZSNCS-NRFANRHFSA-N
XLogP3.63
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25306756
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42197449
ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806
4-[4-[[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45175998
[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol
CID 26317970
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 126460832
methyl 2-[8-[[5-(methoxymethyl)furan-2-yl]methyl]-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 26225627

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 25449478) is [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is COCc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)o1.
What is the InChIKey of [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is JXOVYWFJGZSNCS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-15-20-9-8-19(25-20)14-22-13-5-11-21(16-22,17-23)12-10-18-6-3-2-4-7-18/h2-4,6-9,23H,5,10-17H2,1H3/t21-/m0/s1.
What are the key properties of [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 343.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25449478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).