1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol

C22H36N2O4 — CID 2841755

IUPAC1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COc1ccc(OCC(O)CN2CCCCC2)cc1)CN1CCCCC1
InChIInChI=1S/C22H36N2O4/c25-19(15-23-11-3-1-4-12-23)17-27-21-7-9-22(10-8-21)28-18-20(26)16-24-13-5-2-6-14-24/h7-10,19-20,25-26H,1-6,11-18H2
InChIKeyPQZRNQWHTLRBHA-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.14
Rot. Bonds10

About 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol

1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 2841755) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID2841755
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COc1ccc(OCC(O)CN2CCCCC2)cc1)CN1CCCCC1
InChIInChI=1S/C22H36N2O4/c25-19(15-23-11-3-1-4-12-23)17-27-21-7-9-22(10-8-21)28-18-20(26)16-24-13-5-2-6-14-24/h7-10,19-20,25-26H,1-6,11-18H2
InChIKeyPQZRNQWHTLRBHA-UHFFFAOYSA-N
XLogP2.14
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 2841755) is 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol is OC(COc1ccc(OCC(O)CN2CCCCC2)cc1)CN1CCCCC1.
What is the InChIKey of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is PQZRNQWHTLRBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c25-19(15-23-11-3-1-4-12-23)17-27-21-7-9-22(10-8-21)28-18-20(26)16-24-13-5-2-6-14-24/h7-10,19-20,25-26H,1-6,11-18H2.
What are the key properties of 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 392.54 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 2841755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).