1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol

C19H26N2O2 — CID 75380807

IUPAC1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
SMILESCCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1
InChIInChI=1S/C19H26N2O2/c1-2-17-7-8-18(23-17)13-20-19-6-4-3-5-15(19)14-21-11-9-16(22)10-12-21/h3-8,16,20,22H,2,9-14H2,1H3
InChIKeyRJPOQZSDFHZOLX-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.41
Rot. Bonds6

About 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol

1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol (PubChem CID 75380807) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
PubChem CID75380807
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
SMILESCCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1
InChIInChI=1S/C19H26N2O2/c1-2-17-7-8-18(23-17)13-20-19-6-4-3-5-15(19)14-21-11-9-16(22)10-12-21/h3-8,16,20,22H,2,9-14H2,1H3
InChIKeyRJPOQZSDFHZOLX-UHFFFAOYSA-N
XLogP3.41
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol (CID 75380807) is 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol is CCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1.
What is the InChIKey of 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
The InChIKey is RJPOQZSDFHZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-17-7-8-18(23-17)13-20-19-6-4-3-5-15(19)14-21-11-9-16(22)10-12-21/h3-8,16,20,22H,2,9-14H2,1H3.
What are the key properties of 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol has a molecular weight of 314.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 75380807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).