1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene

C233H368F9N21O8 — CID 158139900

IUPAC1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene
SMILESCC(=O)N1CCC(N)CC1.CC12CCC(C)(CC1)CC2.CC1CC(C)C1.CC1CC2(C1)CC(C)C2.CC1CC2CCCC2C1.CC1CCC(C)(C)CC1.CC1CCC(C)(F)CC1.CC1CCC(C)CC1.CC1CCC2(CCC2)CC1.CC1CCN(C(=O)C(C)(F)F)CC1.CC1CCN(C(=O)C2CC2)CC1.CC1CCN(C)CC1.CCC1CCC(C)CC1.CCC1CCC(N)CC1.COc1ccc(C)cn1.C[C@H]1CCC(N)C1.C[C@H]1CCCC(N)C1.C[C@H]1CCCNC1.Cc1c[nH]c2ccccc12.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)N=CC2.Cc1cccc(C(=O)O)c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1OC=O.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]c1.Cc1cncnc1
InChIInChI=1S/C10H10N2.C10H17NO.2C10H18.C9H15F2NO.2C9H9N.2C9H16.2C9H18.C8H7F3.C8H15F.C8H17N.2C8H8O2.C8H16.C8H10.C7H6F3N.C7H14N2O.C7H9NO.2C7H15N.2C6H13N.2C6H7N.C6H12.C5H6N2.C4H6N2/c1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-8-4-6-11(7-5-8)10(12)9-2-3-9;1-9-3-6-10(2,7-4-9)8-5-9;1-9-3-7-10(8-4-9)5-2-6-10;1-7-3-5-12(6-4-7)8(13)9(2,10)11;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-3-9(4-7)5-8(2)6-9;1-7-5-8-3-2-4-9(8)6-7;1-8-4-6-9(2,3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-6-3-2-4-7(5-6)8(9,10)11;1-7-3-5-8(2,9)6-4-7;1-2-7-3-5-8(9)6-4-7;1-6-3-2-4-7(5-6)8(9)10;1-7-4-2-3-5-8(7)10-6-9;2*1-7-3-5-8(2)6-4-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6(10)9-4-2-7(8)3-5-9;1-6-3-4-7(9-2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6;1-5-2-3-6(7)4-5;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-6(2)4-5;1-5-2-6-4-7-3-5;1-4-2-5-6-3-4/h2-8H,1H3;8-9H,2-7H2,1H3;3-8H2,1-2H3;9H,2-8H2,1H3;7H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;7-8H,3-6H2,1-2H3;7-9H,2-6H2,1H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2-5H,1H3;7H,3-6H2,1-2H3;7-8H,2-6,9H2,1H3;2-5H,1H3,(H,9,10);2-6H,1H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;7H,2-5,8H2,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;6-7H,2-5,8H2,1H3;5-6H,2-4,7H2,1H3;6-7H,2-5H2,1H3;2*2-5H,1H3;5-6H,3-4H2,1-2H3;2-4H,1H3;2-3H,1H3,(H,5,6)/t;;;;;;;;;;;;;;;;;;;;;;6-,7?;5-,6?;6-;;;;;/m......................000...../s1
InChIKeyFTUQLUILQKYWBC-SHFXYURRSA-N
MW3762.63 g/mol
LogP60.63
Rot. Bonds9

About 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene

1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene (PubChem CID 158139900) has the molecular formula C233H368F9N21O8 and a molecular weight of 3762.63 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene
PubChem CID158139900
Molecular FormulaC233H368F9N21O8
Molecular Weight3762.63 g/mol
Exact Mass3759.89
IUPAC Name1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene
SMILESCC(=O)N1CCC(N)CC1.CC12CCC(C)(CC1)CC2.CC1CC(C)C1.CC1CC2(C1)CC(C)C2.CC1CC2CCCC2C1.CC1CCC(C)(C)CC1.CC1CCC(C)(F)CC1.CC1CCC(C)CC1.CC1CCC2(CCC2)CC1.CC1CCN(C(=O)C(C)(F)F)CC1.CC1CCN(C(=O)C2CC2)CC1.CC1CCN(C)CC1.CCC1CCC(C)CC1.CCC1CCC(N)CC1.COc1ccc(C)cn1.C[C@H]1CCC(N)C1.C[C@H]1CCCC(N)C1.C[C@H]1CCCNC1.Cc1c[nH]c2ccccc12.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)N=CC2.Cc1cccc(C(=O)O)c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1OC=O.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]c1.Cc1cncnc1
InChIInChI=1S/C10H10N2.C10H17NO.2C10H18.C9H15F2NO.2C9H9N.2C9H16.2C9H18.C8H7F3.C8H15F.C8H17N.2C8H8O2.C8H16.C8H10.C7H6F3N.C7H14N2O.C7H9NO.2C7H15N.2C6H13N.2C6H7N.C6H12.C5H6N2.C4H6N2/c1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-8-4-6-11(7-5-8)10(12)9-2-3-9;1-9-3-6-10(2,7-4-9)8-5-9;1-9-3-7-10(8-4-9)5-2-6-10;1-7-3-5-12(6-4-7)8(13)9(2,10)11;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-3-9(4-7)5-8(2)6-9;1-7-5-8-3-2-4-9(8)6-7;1-8-4-6-9(2,3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-6-3-2-4-7(5-6)8(9,10)11;1-7-3-5-8(2,9)6-4-7;1-2-7-3-5-8(9)6-4-7;1-6-3-2-4-7(5-6)8(9)10;1-7-4-2-3-5-8(7)10-6-9;2*1-7-3-5-8(2)6-4-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6(10)9-4-2-7(8)3-5-9;1-6-3-4-7(9-2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6;1-5-2-3-6(7)4-5;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-6(2)4-5;1-5-2-6-4-7-3-5;1-4-2-5-6-3-4/h2-8H,1H3;8-9H,2-7H2,1H3;3-8H2,1-2H3;9H,2-8H2,1H3;7H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;7-8H,3-6H2,1-2H3;7-9H,2-6H2,1H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2-5H,1H3;7H,3-6H2,1-2H3;7-8H,2-6,9H2,1H3;2-5H,1H3,(H,9,10);2-6H,1H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;7H,2-5,8H2,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;6-7H,2-5,8H2,1H3;5-6H,2-4,7H2,1H3;6-7H,2-5H2,1H3;2*2-5H,1H3;5-6H,3-4H2,1-2H3;2-4H,1H3;2-3H,1H3,(H,5,6)/t;;;;;;;;;;;;;;;;;;;;;;6-,7?;5-,6?;6-;;;;;/m......................000...../s1
InChIKeyFTUQLUILQKYWBC-SHFXYURRSA-N
XLogP60.63
TPSA405.10 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms271
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003762.63
LogP ≤ 560.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene?
The IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene (CID 158139900) is 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene is CC(=O)N1CCC(N)CC1.CC12CCC(C)(CC1)CC2.CC1CC(C)C1.CC1CC2(C1)CC(C)C2.CC1CC2CCCC2C1.CC1CCC(C)(C)CC1.CC1CCC(C)(F)CC1.CC1CCC(C)CC1.CC1CCC2(CCC2)CC1.CC1CCN(C(=O)C(C)(F)F)CC1.CC1CCN(C(=O)C2CC2)CC1.CC1CCN(C)CC1.CCC1CCC(C)CC1.CCC1CCC(N)CC1.COc1ccc(C)cn1.C[C@H]1CCC(N)C1.C[C@H]1CCCC(N)C1.C[C@H]1CCCNC1.Cc1c[nH]c2ccccc12.Cc1cc(C(F)(F)F)ccn1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)N=CC2.Cc1cccc(C(=O)O)c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1OC=O.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]c1.Cc1cncnc1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene?
The InChIKey is FTUQLUILQKYWBC-SHFXYURRSA-N. The full InChI is InChI=1S/C10H10N2.C10H17NO.2C10H18.C9H15F2NO.2C9H9N.2C9H16.2C9H18.C8H7F3.C8H15F.C8H17N.2C8H8O2.C8H16.C8H10.C7H6F3N.C7H14N2O.C7H9NO.2C7H15N.2C6H13N.2C6H7N.C6H12.C5H6N2.C4H6N2/c1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-8-4-6-11(7-5-8)10(12)9-2-3-9;1-9-3-6-10(2,7-4-9)8-5-9;1-9-3-7-10(8-4-9)5-2-6-10;1-7-3-5-12(6-4-7)8(13)9(2,10)11;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-3-9(4-7)5-8(2)6-9;1-7-5-8-3-2-4-9(8)6-7;1-8-4-6-9(2,3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-6-3-2-4-7(5-6)8(9,10)11;1-7-3-5-8(2,9)6-4-7;1-2-7-3-5-8(9)6-4-7;1-6-3-2-4-7(5-6)8(9)10;1-7-4-2-3-5-8(7)10-6-9;2*1-7-3-5-8(2)6-4-7;1-5-4-6(2-3-11-5)7(8,9)10;1-6(10)9-4-2-7(8)3-5-9;1-6-3-4-7(9-2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6;1-5-2-3-6(7)4-5;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-6(2)4-5;1-5-2-6-4-7-3-5;1-4-2-5-6-3-4/h2-8H,1H3;8-9H,2-7H2,1H3;3-8H2,1-2H3;9H,2-8H2,1H3;7H,3-6H2,1-2H3;2-3,5-6H,4H2,1H3;2-6,10H,1H3;7-8H,3-6H2,1-2H3;7-9H,2-6H2,1H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2-5H,1H3;7H,3-6H2,1-2H3;7-8H,2-6,9H2,1H3;2-5H,1H3,(H,9,10);2-6H,1H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;7H,2-5,8H2,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;6-7H,2-5,8H2,1H3;5-6H,2-4,7H2,1H3;6-7H,2-5H2,1H3;2*2-5H,1H3;5-6H,3-4H2,1-2H3;2-4H,1H3;2-3H,1H3,(H,5,6)/t;;;;;;;;;;;;;;;;;;;;;;6-,7?;5-,6?;6-;;;;;/m......................000...../s1.
What are the key properties of 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene?
1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene has a molecular weight of 3762.63 g/mol, XLogP of 60.63, 9 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)ethanone;cyclopropyl-(4-methylpiperidin-1-yl)methanone;2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylbicyclo[2.2.2]octane;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;2,6-dimethylspiro[3.3]heptane;4-ethylcyclohexan-1-amine;1-ethyl-4-methylcyclohexane;1-fluoro-1,4-dimethylcyclohexane;2-methoxy-5-methylpyridine;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;3-methylbenzoic acid;(3S)-3-methylcyclohexan-1-amine;(3S)-3-methylcyclopentan-1-amine;3-methyl-1H-indole;6-methyl-3H-indole;(2-methylphenyl) formate;1-(4-methylphenyl)imidazole;(3S)-3-methylpiperidine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;7-methylspiro[3.5]nonane;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;1,1,4-trimethylcyclohexane;1,4-xylene is sourced from PubChem (CID 158139900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).