4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride

C16H28ClN3O2 — CID 67992002

IUPAC4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride
SMILESCl.c1cc(C(OCCN2CCOCC2)C2CCCCC2)[nH]n1
InChIInChI=1S/C16H27N3O2.ClH/c1-2-4-14(5-3-1)16(15-6-7-17-18-15)21-13-10-19-8-11-20-12-9-19;/h6-7,14,16H,1-5,8-13H2,(H,17,18);1H
InChIKeyHXIMRKKYHONBPM-UHFFFAOYSA-N
MW329.87 g/mol
LogP2.80
Rot. Bonds6

About 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride

4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride (PubChem CID 67992002) has the molecular formula C16H28ClN3O2 and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride
PubChem CID67992002
Molecular FormulaC16H28ClN3O2
Molecular Weight329.87 g/mol
Exact Mass329.19
IUPAC Name4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride
SMILESCl.c1cc(C(OCCN2CCOCC2)C2CCCCC2)[nH]n1
InChIInChI=1S/C16H27N3O2.ClH/c1-2-4-14(5-3-1)16(15-6-7-17-18-15)21-13-10-19-8-11-20-12-9-19;/h6-7,14,16H,1-5,8-13H2,(H,17,18);1H
InChIKeyHXIMRKKYHONBPM-UHFFFAOYSA-N
XLogP2.80
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride (CID 67992002) is 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride is Cl.c1cc(C(OCCN2CCOCC2)C2CCCCC2)[nH]n1.
What is the InChIKey of 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride?
The InChIKey is HXIMRKKYHONBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.ClH/c1-2-4-14(5-3-1)16(15-6-7-17-18-15)21-13-10-19-8-11-20-12-9-19;/h6-7,14,16H,1-5,8-13H2,(H,17,18);1H.
What are the key properties of 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride?
4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 67992002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).