1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane

C219H338N28O7 — CID 161312202

IUPAC1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane
SMILESC.C.CC(=O)N1CCN(C)CC1.CN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(Cc2ccccc2)CC1.CN1CCC(Oc2ccccc2)CC1.CN1CCC(c2ccccc2)C1.CN1CCC(c2ccccc2)CC1.CN1CCCC(Nc2ccncc2)C1.CN1CCCC(Oc2ccccc2)C1.CN1CCCC(c2ccccc2)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCCc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ccccc2)CC1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.O=C(C1CCNCC1)C1C2CCC1COC2.c1ccc(N2CCCNCC2)cc1
InChIInChI=1S/C13H21NO2.C13H19N.C12H18N2.2C12H17NO.2C12H17N.C11H17N3.C11H20N2O2.2C11H16N2.3C11H15N.2C10H13N.C9H11N.C7H14N2O.C7H15N.C6H13N.C5H11N.2CH4/c15-13(9-3-5-14-6-4-9)12-10-1-2-11(12)8-16-7-10;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-14-8-2-3-11(9-14)13-10-4-6-12-7-5-10;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-2-5-11(6-3-1)13-9-4-7-12-8-10-13;1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-7-6-8-4-2-3-5-9(8)10;1-7(10)9-5-3-8(2)4-6-9;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;/h9-12,14H,1-8H2;2-6,13H,7-11H2,1H3;2-6H,7-11H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;4-7,11H,2-3,8-9H2,1H3,(H,12,13);10H,2-9H2,1H3;2-6H,7-10H2,1H3;1-3,5-6,12H,4,7-10H2;2-3,6,8H,4-5,7,9H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3;3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3;2*1H4
InChIKeyVJARRUGMKNGOGW-UHFFFAOYSA-N
MW3475.30 g/mol
LogP35.65
Rot. Bonds18

About 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane

1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane (PubChem CID 161312202) has the molecular formula C219H338N28O7 and a molecular weight of 3475.30 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane.

Molecular Properties

Compound Name1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane
PubChem CID161312202
Molecular FormulaC219H338N28O7
Molecular Weight3475.30 g/mol
Exact Mass3472.70
IUPAC Name1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane
SMILESC.C.CC(=O)N1CCN(C)CC1.CN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(Cc2ccccc2)CC1.CN1CCC(Oc2ccccc2)CC1.CN1CCC(c2ccccc2)C1.CN1CCC(c2ccccc2)CC1.CN1CCCC(Nc2ccncc2)C1.CN1CCCC(Oc2ccccc2)C1.CN1CCCC(c2ccccc2)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCCc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ccccc2)CC1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.O=C(C1CCNCC1)C1C2CCC1COC2.c1ccc(N2CCCNCC2)cc1
InChIInChI=1S/C13H21NO2.C13H19N.C12H18N2.2C12H17NO.2C12H17N.C11H17N3.C11H20N2O2.2C11H16N2.3C11H15N.2C10H13N.C9H11N.C7H14N2O.C7H15N.C6H13N.C5H11N.2CH4/c15-13(9-3-5-14-6-4-9)12-10-1-2-11(12)8-16-7-10;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-14-8-2-3-11(9-14)13-10-4-6-12-7-5-10;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-2-5-11(6-3-1)13-9-4-7-12-8-10-13;1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-7-6-8-4-2-3-5-9(8)10;1-7(10)9-5-3-8(2)4-6-9;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;/h9-12,14H,1-8H2;2-6,13H,7-11H2,1H3;2-6H,7-11H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;4-7,11H,2-3,8-9H2,1H3,(H,12,13);10H,2-9H2,1H3;2-6H,7-10H2,1H3;1-3,5-6,12H,4,7-10H2;2-3,6,8H,4-5,7,9H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3;3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3;2*1H4
InChIKeyVJARRUGMKNGOGW-UHFFFAOYSA-N
XLogP35.65
TPSA214.87 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003475.30
LogP ≤ 535.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane with MolForge

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Launch Full Analysis

Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;bis(1-benzylpiperidine);4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine
CID 159978913
[4-[2-[4-[(4-benzylpiperidin-1-yl)methyl]phenoxy]ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 45224100
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;bis(1-propan-2-ylpiperazine);thiomorpholine
CID 161224109
[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone
CID 42865330
(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone
CID 159937564
9-(4-methyl-1,4-diazepane-1-carbonyl)-5-(pyridin-4-ylmethyl)-1,5-diazacycloundecan-2-one
CID 110199516
[4-[2-[4-[(4-benzylpiperidin-1-yl)methyl]phenoxy]ethyl]piperazin-1-yl]-(2,2-dimethyloxan-4-yl)methanone
CID 45227693
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine
CID 167562878
1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol
CID 159285023
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
1-[4-[(4-piperazin-1-ylphenyl)methyl]piperidin-1-yl]ethanone
CID 19390831

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane?
The IUPAC name of 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane (CID 161312202) is 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane.
What is the SMILES notation for 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane?
The canonical SMILES for 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane is C.C.CC(=O)N1CCN(C)CC1.CN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(Cc2ccccc2)CC1.CN1CCC(Oc2ccccc2)CC1.CN1CCC(c2ccccc2)C1.CN1CCC(c2ccccc2)CC1.CN1CCCC(Nc2ccncc2)C1.CN1CCCC(Oc2ccccc2)C1.CN1CCCC(c2ccccc2)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCCc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ccccc2)CC1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.O=C(C1CCNCC1)C1C2CCC1COC2.c1ccc(N2CCCNCC2)cc1.
What is the InChIKey of 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane?
The InChIKey is VJARRUGMKNGOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.C13H19N.C12H18N2.2C12H17NO.2C12H17N.C11H17N3.C11H20N2O2.2C11H16N2.3C11H15N.2C10H13N.C9H11N.C7H14N2O.C7H15N.C6H13N.C5H11N.2CH4/c15-13(9-3-5-14-6-4-9)12-10-1-2-11(12)8-16-7-10;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-14-8-2-3-11(9-14)13-10-4-6-12-7-5-10;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-2-5-11(6-3-1)13-9-4-7-12-8-10-13;1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-10-7-6-8-4-2-3-5-9(8)10;1-7(10)9-5-3-8(2)4-6-9;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;/h9-12,14H,1-8H2;2-6,13H,7-11H2,1H3;2-6H,7-11H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;4-7,11H,2-3,8-9H2,1H3,(H,12,13);10H,2-9H2,1H3;2-6H,7-10H2,1H3;1-3,5-6,12H,4,7-10H2;2-3,6,8H,4-5,7,9H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;2-5H,6-7H2,1H3;3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3;2*1H4.
What are the key properties of 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane?
1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane has a molecular weight of 3475.30 g/mol, XLogP of 35.65, 18 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane is sourced from PubChem (CID 161312202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).