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

C19H29NO2 — CID 11978736

IUPAC1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol
SMILESOC1(c2ccc(OCCCN3CCCCC3)cc2)CCCC1
InChIInChI=1S/C19H29NO2/c21-19(11-2-3-12-19)17-7-9-18(10-8-17)22-16-6-15-20-13-4-1-5-14-20/h7-10,21H,1-6,11-16H2
InChIKeyOVUPJCFIGACEID-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.70
Rot. Bonds6

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

1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol (PubChem CID 11978736) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol
PubChem CID11978736
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol
SMILESOC1(c2ccc(OCCCN3CCCCC3)cc2)CCCC1
InChIInChI=1S/C19H29NO2/c21-19(11-2-3-12-19)17-7-9-18(10-8-17)22-16-6-15-20-13-4-1-5-14-20/h7-10,21H,1-6,11-16H2
InChIKeyOVUPJCFIGACEID-UHFFFAOYSA-N
XLogP3.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]cyclopentan-1-ol?
The IUPAC name of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol (CID 11978736) is 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol?
The canonical SMILES for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol is OC1(c2ccc(OCCCN3CCCCC3)cc2)CCCC1.
What is the InChIKey of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol?
The InChIKey is OVUPJCFIGACEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c21-19(11-2-3-12-19)17-7-9-18(10-8-17)22-16-6-15-20-13-4-1-5-14-20/h7-10,21H,1-6,11-16H2.
What are the key properties of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol?
1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol has a molecular weight of 303.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 11978736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).