2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one

C14H25NO2 — CID 79553644

IUPAC2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
SMILESCC(O)CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C14H25NO2/c1-11(16)10-15-9-5-4-7-13(15)12-6-2-3-8-14(12)17/h11-13,16H,2-10H2,1H3
InChIKeyBQIISCHTBMYIAZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.98
Rot. Bonds3

About 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79553644) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79553644
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
SMILESCC(O)CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C14H25NO2/c1-11(16)10-15-9-5-4-7-13(15)12-6-2-3-8-14(12)17/h11-13,16H,2-10H2,1H3
InChIKeyBQIISCHTBMYIAZ-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79548618
2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one
CID 79537619
2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
CID 79552802
2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one
CID 83156297
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544470
2-[1-(cyclobutylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553179
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
CID 79553801
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
N-ethyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
CID 79552796
N-methyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]acetamide
CID 79544652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one (CID 79553644) is 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one is CC(O)CN1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is BQIISCHTBMYIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(16)10-15-9-5-4-7-13(15)12-6-2-3-8-14(12)17/h11-13,16H,2-10H2,1H3.
What are the key properties of 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 239.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79553644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).