3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one

C18H27NO2 — CID 22413639

IUPAC3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CC(c1ccccc1)N1CCCCC1)C(C)O
InChIInChI=1S/C18H27NO2/c1-14(20)17(15(2)21)13-18(16-9-5-3-6-10-16)19-11-7-4-8-12-19/h3,5-6,9-10,14,17-18,20H,4,7-8,11-13H2,1-2H3
InChIKeyWZZLAXOPSIWWQA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.19
Rot. Bonds6

About 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one

3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one (PubChem CID 22413639) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one
PubChem CID22413639
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CC(c1ccccc1)N1CCCCC1)C(C)O
InChIInChI=1S/C18H27NO2/c1-14(20)17(15(2)21)13-18(16-9-5-3-6-10-16)19-11-7-4-8-12-19/h3,5-6,9-10,14,17-18,20H,4,7-8,11-13H2,1-2H3
InChIKeyWZZLAXOPSIWWQA-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one (CID 22413639) is 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one is CC(=O)C(CC(c1ccccc1)N1CCCCC1)C(C)O.
What is the InChIKey of 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one?
The InChIKey is WZZLAXOPSIWWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(20)17(15(2)21)13-18(16-9-5-3-6-10-16)19-11-7-4-8-12-19/h3,5-6,9-10,14,17-18,20H,4,7-8,11-13H2,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one?
3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-5-phenyl-5-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 22413639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).