2-(3-propoxypiperidin-1-yl)cyclohexan-1-one

C14H25NO2 — CID 54990280

IUPAC2-(3-propoxypiperidin-1-yl)cyclohexan-1-one
SMILESCCCOC1CCCN(C2CCCCC2=O)C1
InChIInChI=1S/C14H25NO2/c1-2-10-17-12-6-5-9-15(11-12)13-7-3-4-8-14(13)16/h12-13H,2-11H2,1H3
InChIKeyJBNYVKVUBHJCQW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.39
Rot. Bonds4

About 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one

2-(3-propoxypiperidin-1-yl)cyclohexan-1-one (PubChem CID 54990280) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-propoxypiperidin-1-yl)cyclohexan-1-one
PubChem CID54990280
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(3-propoxypiperidin-1-yl)cyclohexan-1-one
SMILESCCCOC1CCCN(C2CCCCC2=O)C1
InChIInChI=1S/C14H25NO2/c1-2-10-17-12-6-5-9-15(11-12)13-7-3-4-8-14(13)16/h12-13H,2-11H2,1H3
InChIKeyJBNYVKVUBHJCQW-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-propoxypiperidin-1-yl)cyclopentan-1-one
CID 79642918
2-(3-methoxypyrrolidin-1-yl)cycloheptan-1-one
CID 103535609
2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 63075439
2-(3-methoxyazetidin-1-yl)cycloheptan-1-one
CID 130547856
4-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 62806391
(2R)-2-propoxycyclohexan-1-one
CID 130629203
2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-one
CID 63610991
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
2-(4-ethylpiperazin-1-yl)cyclohexan-1-one
CID 43794328
3-(3-propoxypiperidin-1-yl)cyclopentan-1-amine
CID 79469566
3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one
CID 79642919
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one (CID 54990280) is 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one is CCCOC1CCCN(C2CCCCC2=O)C1.
What is the InChIKey of 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one?
The InChIKey is JBNYVKVUBHJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-10-17-12-6-5-9-15(11-12)13-7-3-4-8-14(13)16/h12-13H,2-11H2,1H3.
What are the key properties of 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one?
2-(3-propoxypiperidin-1-yl)cyclohexan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypiperidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 54990280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).