1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol

C20H32N2O2 — CID 10131681

IUPAC1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
InChIKeyOZHWKCSDZSJHKE-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.90
Rot. Bonds7

About 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol

1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol (PubChem CID 10131681) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol
PubChem CID10131681
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
InChIKeyOZHWKCSDZSJHKE-UHFFFAOYSA-N
XLogP2.90
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
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 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol (CID 10131681) is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol?
The InChIKey is OZHWKCSDZSJHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2.
What are the key properties of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol?
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol has a molecular weight of 332.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 10131681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).