1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride

C11H20ClNO3 — CID 66545433

IUPAC1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H19NO3.ClH/c13-10(14)11(4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-9H2,(H,13,14);1H
InChIKeyHQRAIQKDZVJMAR-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.53
Rot. Bonds2

About 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride

1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 66545433) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID66545433
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H19NO3.ClH/c13-10(14)11(4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-9H2,(H,13,14);1H
InChIKeyHQRAIQKDZVJMAR-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride (CID 66545433) is 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is HQRAIQKDZVJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.ClH/c13-10(14)11(4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-9H2,(H,13,14);1H.
What are the key properties of 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride?
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 66545433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).