4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride

C21H28ClNO2 — CID 67152377

IUPAC4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(CCO[C@@H]3CCC[C@H]3N3CCOCC3)cccc2c1
InChIInChI=1S/C21H27NO2.ClH/c1-2-8-19-17(5-1)6-3-7-18(19)11-14-24-21-10-4-9-20(21)22-12-15-23-16-13-22;/h1-3,5-8,20-21H,4,9-16H2;1H/t20-,21-;/m1./s1
InChIKeyDMJHZXWZHAYOOV-MUCZFFFMSA-N
MW361.91 g/mol
LogP4.07
Rot. Bonds5

About 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride

4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride (PubChem CID 67152377) has the molecular formula C21H28ClNO2 and a molecular weight of 361.91 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride
PubChem CID67152377
Molecular FormulaC21H28ClNO2
Molecular Weight361.91 g/mol
Exact Mass361.18
IUPAC Name4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(CCO[C@@H]3CCC[C@H]3N3CCOCC3)cccc2c1
InChIInChI=1S/C21H27NO2.ClH/c1-2-8-19-17(5-1)6-3-7-18(19)11-14-24-21-10-4-9-20(21)22-12-15-23-16-13-22;/h1-3,5-8,20-21H,4,9-16H2;1H/t20-,21-;/m1./s1
InChIKeyDMJHZXWZHAYOOV-MUCZFFFMSA-N
XLogP4.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 21045498
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
CID 21045496
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
CID 59981697
4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
CID 58648747
4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 16738247
(2R)-2-(2-naphthalen-1-ylethoxy)cyclohexan-1-ol
CID 71158995
1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride
CID 161229794
4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine
CID 158054197
1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride
CID 159011886
4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine
CID 16738236
4-[(1S,2R)-2-phenoxycyclohexyl]morpholine
CID 92857072
1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-one;hydrochloride
CID 162318741

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride?
The IUPAC name of 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride (CID 67152377) is 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride is Cl.c1ccc2c(CCO[C@@H]3CCC[C@H]3N3CCOCC3)cccc2c1.
What is the InChIKey of 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride?
The InChIKey is DMJHZXWZHAYOOV-MUCZFFFMSA-N. The full InChI is InChI=1S/C21H27NO2.ClH/c1-2-8-19-17(5-1)6-3-7-18(19)11-14-24-21-10-4-9-20(21)22-12-15-23-16-13-22;/h1-3,5-8,20-21H,4,9-16H2;1H/t20-,21-;/m1./s1.
What are the key properties of 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride?
4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride is sourced from PubChem (CID 67152377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).