2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one

C18H25NO2 — CID 79537619

IUPAC2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC(O)c1ccccc1
InChIInChI=1S/C18H25NO2/c20-17-11-6-9-15(17)16-10-4-5-12-19(16)13-18(21)14-7-2-1-3-8-14/h1-3,7-8,15-16,18,21H,4-6,9-13H2
InChIKeyOBTIWTHLIWSHKQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79537619) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79537619
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC(O)c1ccccc1
InChIInChI=1S/C18H25NO2/c20-17-11-6-9-15(17)16-10-4-5-12-19(16)13-18(21)14-7-2-1-3-8-14/h1-3,7-8,15-16,18,21H,4-6,9-13H2
InChIKeyOBTIWTHLIWSHKQ-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
CID 79553644
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79548618
2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 114930256
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79541000
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one
CID 79536535
(3aR,7aR)-1-benzhydryl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 178143439
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
2-[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543803
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536827

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one (CID 79537619) is 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1CC(O)c1ccccc1.
What is the InChIKey of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is OBTIWTHLIWSHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17-11-6-9-15(17)16-10-4-5-12-19(16)13-18(21)14-7-2-1-3-8-14/h1-3,7-8,15-16,18,21H,4-6,9-13H2.
What are the key properties of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 287.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79537619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).