4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride

C20H28ClNO2S — CID 21045498

IUPAC4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)csc2c1
InChIInChI=1S/C20H27NO2S.ClH/c1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21;/h1,4-5,8,15,18-19H,2-3,6-7,9-14H2;1H/t18-,19-;/m1./s1
InChIKeyLCFPBFPLVVJFJB-STYNFMPRSA-N
MW381.97 g/mol
LogP4.53
Rot. Bonds5

About 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride

4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride (PubChem CID 21045498) has the molecular formula C20H28ClNO2S and a molecular weight of 381.97 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride
PubChem CID21045498
Molecular FormulaC20H28ClNO2S
Molecular Weight381.97 g/mol
Exact Mass381.15
IUPAC Name4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride
SMILESCl.c1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)csc2c1
InChIInChI=1S/C20H27NO2S.ClH/c1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21;/h1,4-5,8,15,18-19H,2-3,6-7,9-14H2;1H/t18-,19-;/m1./s1
InChIKeyLCFPBFPLVVJFJB-STYNFMPRSA-N
XLogP4.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
CID 21045496
4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride
CID 67152377
4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine
CID 21045507
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
4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 16738247
4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
CID 58648747
4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine
CID 16738236
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
CID 59981697
2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 22418285
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
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride?
The IUPAC name of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride (CID 21045498) is 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride is Cl.c1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)csc2c1.
What is the InChIKey of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride?
The InChIKey is LCFPBFPLVVJFJB-STYNFMPRSA-N. The full InChI is InChI=1S/C20H27NO2S.ClH/c1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21;/h1,4-5,8,15,18-19H,2-3,6-7,9-14H2;1H/t18-,19-;/m1./s1.
What are the key properties of 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride?
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride is sourced from PubChem (CID 21045498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).