3-phenyl-1-piperidin-1-ylpentan-3-ol

C16H25NO — CID 566573

IUPAC3-phenyl-1-piperidin-1-ylpentan-3-ol
SMILESCCC(O)(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-16(18,15-9-5-3-6-10-15)11-14-17-12-7-4-8-13-17/h3,5-6,9-10,18H,2,4,7-8,11-14H2,1H3
InChIKeyZLFRZTFZUNLLDJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.16
Rot. Bonds5

About 3-phenyl-1-piperidin-1-ylpentan-3-ol

3-phenyl-1-piperidin-1-ylpentan-3-ol (PubChem CID 566573) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-phenyl-1-piperidin-1-ylpentan-3-ol.

Molecular Properties

Compound Name3-phenyl-1-piperidin-1-ylpentan-3-ol
PubChem CID566573
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-phenyl-1-piperidin-1-ylpentan-3-ol
SMILESCCC(O)(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-16(18,15-9-5-3-6-10-15)11-14-17-12-7-4-8-13-17/h3,5-6,9-10,18H,2,4,7-8,11-14H2,1H3
InChIKeyZLFRZTFZUNLLDJ-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-piperidin-1-ylpentan-3-ol?
The IUPAC name of 3-phenyl-1-piperidin-1-ylpentan-3-ol (CID 566573) is 3-phenyl-1-piperidin-1-ylpentan-3-ol.
What is the SMILES notation for 3-phenyl-1-piperidin-1-ylpentan-3-ol?
The canonical SMILES for 3-phenyl-1-piperidin-1-ylpentan-3-ol is CCC(O)(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of 3-phenyl-1-piperidin-1-ylpentan-3-ol?
The InChIKey is ZLFRZTFZUNLLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-16(18,15-9-5-3-6-10-15)11-14-17-12-7-4-8-13-17/h3,5-6,9-10,18H,2,4,7-8,11-14H2,1H3.
What are the key properties of 3-phenyl-1-piperidin-1-ylpentan-3-ol?
3-phenyl-1-piperidin-1-ylpentan-3-ol has a molecular weight of 247.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-piperidin-1-ylpentan-3-ol is sourced from PubChem (CID 566573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).