1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one

C14H25NO2 — CID 118085026

IUPAC1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one
SMILESCC(=O)CC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C14H25NO2/c1-13(16)11-14(5-3-2-4-6-14)12-15-7-9-17-10-8-15/h2-12H2,1H3
InChIKeyPAWRLZLEJQPSQZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds4

About 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one

1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one (PubChem CID 118085026) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one
PubChem CID118085026
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one
SMILESCC(=O)CC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C14H25NO2/c1-13(16)11-14(5-3-2-4-6-14)12-15-7-9-17-10-8-15/h2-12H2,1H3
InChIKeyPAWRLZLEJQPSQZ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one?
The IUPAC name of 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one (CID 118085026) is 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one?
The canonical SMILES for 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one is CC(=O)CC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one?
The InChIKey is PAWRLZLEJQPSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(16)11-14(5-3-2-4-6-14)12-15-7-9-17-10-8-15/h2-12H2,1H3.
What are the key properties of 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one?
1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(morpholin-4-ylmethyl)cyclohexyl]propan-2-one is sourced from PubChem (CID 118085026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).