4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol

C16H25NO4 — CID 95203862

IUPAC4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1
InChIInChI=1S/C16H25NO4/c18-12-16(19)6-8-17(9-7-16)11-13-4-5-15(21-13)14-3-1-2-10-20-14/h4-5,14,18-19H,1-3,6-12H2/t14-/m0/s1
InChIKeyUDKCFFUQHZPLBK-AWEZNQCLSA-N
MW295.38 g/mol
LogP1.84
Rot. Bonds4

About 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol

4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol (PubChem CID 95203862) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol
PubChem CID95203862
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1
InChIInChI=1S/C16H25NO4/c18-12-16(19)6-8-17(9-7-16)11-13-4-5-15(21-13)14-3-1-2-10-20-14/h4-5,14,18-19H,1-3,6-12H2/t14-/m0/s1
InChIKeyUDKCFFUQHZPLBK-AWEZNQCLSA-N
XLogP1.84
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol (CID 95203862) is 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol is OCC1(O)CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol?
The InChIKey is UDKCFFUQHZPLBK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO4/c18-12-16(19)6-8-17(9-7-16)11-13-4-5-15(21-13)14-3-1-2-10-20-14/h4-5,14,18-19H,1-3,6-12H2/t14-/m0/s1.
What are the key properties of 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol has a molecular weight of 295.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 95203862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).