4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol

C19H29NO4 — CID 78836914

IUPAC4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
SMILESOc1ccc(C2CCN(CC(O)COCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4/c21-17-5-3-15(4-6-17)16-7-9-20(10-8-16)12-18(22)13-23-14-19-2-1-11-24-19/h3-6,16,18-19,21-22H,1-2,7-14H2
InChIKeyQLVSRDWRTFRNNB-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.13
Rot. Bonds7

About 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol

4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol (PubChem CID 78836914) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
PubChem CID78836914
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
SMILESOc1ccc(C2CCN(CC(O)COCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4/c21-17-5-3-15(4-6-17)16-7-9-20(10-8-16)12-18(22)13-23-14-19-2-1-11-24-19/h3-6,16,18-19,21-22H,1-2,7-14H2
InChIKeyQLVSRDWRTFRNNB-UHFFFAOYSA-N
XLogP2.13
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
The IUPAC name of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol (CID 78836914) is 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol is Oc1ccc(C2CCN(CC(O)COCC3CCCO3)CC2)cc1.
What is the InChIKey of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
The InChIKey is QLVSRDWRTFRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c21-17-5-3-15(4-6-17)16-7-9-20(10-8-16)12-18(22)13-23-14-19-2-1-11-24-19/h3-6,16,18-19,21-22H,1-2,7-14H2.
What are the key properties of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol has a molecular weight of 335.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol is sourced from PubChem (CID 78836914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).