4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride

C16H28ClN3O2 — CID 54673632

IUPAC4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride
SMILESCl.c1cn(C2CCCCC2)nc1COCCN1CCOCC1
InChIInChI=1S/C16H27N3O2.ClH/c1-2-4-16(5-3-1)19-7-6-15(17-19)14-21-13-10-18-8-11-20-12-9-18;/h6-7,16H,1-5,8-14H2;1H
InChIKeyWZQPPQNECTVHGY-UHFFFAOYSA-N
MW329.87 g/mol
LogP2.66
Rot. Bonds6

About 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride

4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride (PubChem CID 54673632) has the molecular formula C16H28ClN3O2 and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride
PubChem CID54673632
Molecular FormulaC16H28ClN3O2
Molecular Weight329.87 g/mol
Exact Mass329.19
IUPAC Name4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride
SMILESCl.c1cn(C2CCCCC2)nc1COCCN1CCOCC1
InChIInChI=1S/C16H27N3O2.ClH/c1-2-4-16(5-3-1)19-7-6-15(17-19)14-21-13-10-18-8-11-20-12-9-18;/h6-7,16H,1-5,8-14H2;1H
InChIKeyWZQPPQNECTVHGY-UHFFFAOYSA-N
XLogP2.66
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride (CID 54673632) is 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride is Cl.c1cn(C2CCCCC2)nc1COCCN1CCOCC1.
What is the InChIKey of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride?
The InChIKey is WZQPPQNECTVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.ClH/c1-2-4-16(5-3-1)19-7-6-15(17-19)14-21-13-10-18-8-11-20-12-9-18;/h6-7,16H,1-5,8-14H2;1H.
What are the key properties of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride?
4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 54673632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).