4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine

C109H153FN10O8S — CID 159828578

IUPAC4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine
SMILESC1CSCCN1.CC(=O)N1CCCNCC1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCOCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO.C12H17N.C12H16.C11H14FNO.C11H15NO2.C11H15NO.C11H15N.C10H13NO.C8H8O.C7H14N2O.C4H9NS/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-8-7(3-1)5-6-9-8;1-7(10)9-5-2-3-8-4-6-9;1-3-6-4-2-5-1/h1-5H,6-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;1-5H,6-9H2;1-4H,5-6H2;8H,2-6H2,1H3;5H,1-4H2
InChIKeyNNDVZUANRDTLGJ-UHFFFAOYSA-N
MW1782.55 g/mol
LogP18.33
Rot. Bonds15

About 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine

4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine (PubChem CID 159828578) has the molecular formula C109H153FN10O8S and a molecular weight of 1782.55 g/mol. Its IUPAC name is 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine.

Molecular Properties

Compound Name4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine
PubChem CID159828578
Molecular FormulaC109H153FN10O8S
Molecular Weight1782.55 g/mol
Exact Mass1781.16
IUPAC Name4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine
SMILESC1CSCCN1.CC(=O)N1CCCNCC1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCOCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO.C12H17N.C12H16.C11H14FNO.C11H15NO2.C11H15NO.C11H15N.C10H13NO.C8H8O.C7H14N2O.C4H9NS/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-8-7(3-1)5-6-9-8;1-7(10)9-5-2-3-8-4-6-9;1-3-6-4-2-5-1/h1-5H,6-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;1-5H,6-9H2;1-4H,5-6H2;8H,2-6H2,1H3;5H,1-4H2
InChIKeyNNDVZUANRDTLGJ-UHFFFAOYSA-N
XLogP18.33
TPSA149.24 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.55
LogP ≤ 518.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine with MolForge

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Related Compounds

1-Benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1-benzofuran;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;piperidine;1-propan-2-ylpiperazine
CID 157499975
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-(2-cyclohex-2-en-1-ylethyl)-2-methylpropan-2-amine;N-ethyl-2-methylpropan-2-amine
CID 157836981
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine
CID 157900044
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine
CID 159171714
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;3-azaspiro[5.5]undecane;benzene;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine
CID 159203756
1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine
CID 159615694
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-4-methoxyaniline;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-(2-cyclohex-2-en-1-ylethyl)-2-methylpropan-2-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 160903895
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;4-ethynylpiperidine;methane;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine
CID 161038429
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine
CID 161234994
4-Tert-butyl-1-propan-2-ylpiperidine;1-cyclohexyl-4-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-naphthalen-2-yl-1-propan-2-ylpiperidine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-phenoxy-1-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperazine;4-phenyl-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
CID 161762450
N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-(2-cyclohex-2-en-1-ylethyl)-2-methylpropan-2-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate
CID 161960101
N-[(2-benzylphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-hydroxypiperidin-1-yl)phenyl]methyl]-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-phenoxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-piperazin-1-ylphenyl)methyl]butanamide
CID 173071295

Frequently Asked Questions

What is the IUPAC name of 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine?
The IUPAC name of 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine (CID 159828578) is 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine.
What is the SMILES notation for 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine?
The canonical SMILES for 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine is C1CSCCN1.CC(=O)N1CCCNCC1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCOCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1ccc2c(c1)CCO2.
What is the InChIKey of 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine?
The InChIKey is NNDVZUANRDTLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H17N.C12H16.C11H14FNO.C11H15NO2.C11H15NO.C11H15N.C10H13NO.C8H8O.C7H14N2O.C4H9NS/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-8-7(3-1)5-6-9-8;1-7(10)9-5-2-3-8-4-6-9;1-3-6-4-2-5-1/h1-5H,6-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;1-5H,6-9H2;1-4H,5-6H2;8H,2-6H2,1H3;5H,1-4H2.
What are the key properties of 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine?
4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine has a molecular weight of 1782.55 g/mol, XLogP of 18.33, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine is sourced from PubChem (CID 159828578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).