4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol

C21H27NO3 — CID 70091294

IUPAC4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
SMILESOC1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C21H27NO3/c23-21-15-22-12-11-20(21)18-7-9-19(10-8-18)25-14-4-13-24-16-17-5-2-1-3-6-17/h1-3,5-10,20-23H,4,11-16H2
InChIKeyYCWHHEUHUZFYEM-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.11
Rot. Bonds8

About 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol

4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol (PubChem CID 70091294) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
PubChem CID70091294
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
SMILESOC1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1
InChIInChI=1S/C21H27NO3/c23-21-15-22-12-11-20(21)18-7-9-19(10-8-18)25-14-4-13-24-16-17-5-2-1-3-6-17/h1-3,5-10,20-23H,4,11-16H2
InChIKeyYCWHHEUHUZFYEM-UHFFFAOYSA-N
XLogP3.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol?
The IUPAC name of 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol (CID 70091294) is 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol.
What is the SMILES notation for 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol?
The canonical SMILES for 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol is OC1CNCCC1c1ccc(OCCCOCc2ccccc2)cc1.
What is the InChIKey of 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol?
The InChIKey is YCWHHEUHUZFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c23-21-15-22-12-11-20(21)18-7-9-19(10-8-18)25-14-4-13-24-16-17-5-2-1-3-6-17/h1-3,5-10,20-23H,4,11-16H2.
What are the key properties of 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol?
4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol has a molecular weight of 341.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol is sourced from PubChem (CID 70091294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).