[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol

C20H26ClNO2 — CID 26317970

IUPAC[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol
SMILESCCc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1
InChIInChI=1S/C20H26ClNO2/c1-2-18-7-8-19(24-18)13-22-10-4-9-20(14-22,15-23)12-16-5-3-6-17(21)11-16/h3,5-8,11,23H,2,4,9-10,12-15H2,1H3/t20-/m0/s1
InChIKeyKLEVJYPJAAFBPZ-FQEVSTJZSA-N
MW347.89 g/mol
LogP4.31
Rot. Bonds6

About [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol

[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 26317970) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID26317970
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol
SMILESCCc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1
InChIInChI=1S/C20H26ClNO2/c1-2-18-7-8-19(24-18)13-22-10-4-9-20(14-22,15-23)12-16-5-3-6-17(21)11-16/h3,5-8,11,23H,2,4,9-10,12-15H2,1H3/t20-/m0/s1
InChIKeyKLEVJYPJAAFBPZ-FQEVSTJZSA-N
XLogP4.31
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol (CID 26317970) is [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol is CCc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1.
What is the InChIKey of [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is KLEVJYPJAAFBPZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-2-18-7-8-19(24-18)13-22-10-4-9-20(14-22,15-23)12-16-5-3-6-17(21)11-16/h3,5-8,11,23H,2,4,9-10,12-15H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol?
[(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 347.89 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(3-chlorophenyl)methyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 26317970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).