bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine

C167H258F3N15O4S — CID 158647387

IUPACbis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine
SMILESCC(C)c1ccc(CN2CC(C)C(O)C2)cc1.CC(C)c1ccc(CN2CCC(C)(C)C2)cc1.CC(C)c1ccc(CN2CCC(C)(C)C2)cc1.CC(C)c1ccc(CN2CCC(C)(F)C2)cc1.CC(C)c1ccc(CN2CCC(S(C)(=O)=O)C2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)nc1.CC(C)c1ccc(OC2CCN(C)C2)cc1.CC1CCN(Cc2ccc(C(C)C)cc2)C1.CC1CCN(Cc2ccc(C(C)C)cc2)C1.CCC1CC(F)(F)CN1Cc1ccc(C(C)C)cc1.CCCN1CCN(Cc2ccc(C(C)C)cn2)CC1
InChIInChI=1S/C16H23F2N.C16H27N3.2C16H25N.C15H22FN.C15H23NO2S.C15H23NO.2C15H23N.C14H23N3.C14H21NO/c1-4-15-9-16(17,18)11-19(15)10-13-5-7-14(8-6-13)12(2)3;1-4-7-18-8-10-19(11-9-18)13-16-6-5-15(12-17-16)14(2)3;2*1-13(2)15-7-5-14(6-8-15)11-17-10-9-16(3,4)12-17;1-12(2)14-6-4-13(5-7-14)10-17-9-8-15(3,16)11-17;1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(11-16)19(3,17)18;1-11(2)14-6-4-13(5-7-14)9-16-8-12(3)15(17)10-16;2*1-12(2)15-6-4-14(5-7-15)11-16-9-8-13(3)10-16;1-12(2)13-4-5-14(15-10-13)11-17-8-6-16(3)7-9-17;1-11(2)12-4-6-13(7-5-12)16-14-8-9-15(3)10-14/h5-8,12,15H,4,9-11H2,1-3H3;5-6,12,14H,4,7-11,13H2,1-3H3;2*5-8,13H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,11-12,15,17H,8-10H2,1-3H3;2*4-7,12-13H,8-11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;4-7,11,14H,8-10H2,1-3H3
InChIKeyIBDCYGDRMYXZRI-UHFFFAOYSA-N
MW2629.06 g/mol
LogP36.19
Rot. Bonds37

About bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine

bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine (PubChem CID 158647387) has the molecular formula C167H258F3N15O4S and a molecular weight of 2629.06 g/mol. Its IUPAC name is bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine.

Molecular Properties

Compound Namebis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine
PubChem CID158647387
Molecular FormulaC167H258F3N15O4S
Molecular Weight2629.06 g/mol
Exact Mass2627.01
IUPAC Namebis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine
SMILESCC(C)c1ccc(CN2CC(C)C(O)C2)cc1.CC(C)c1ccc(CN2CCC(C)(C)C2)cc1.CC(C)c1ccc(CN2CCC(C)(C)C2)cc1.CC(C)c1ccc(CN2CCC(C)(F)C2)cc1.CC(C)c1ccc(CN2CCC(S(C)(=O)=O)C2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)nc1.CC(C)c1ccc(OC2CCN(C)C2)cc1.CC1CCN(Cc2ccc(C(C)C)cc2)C1.CC1CCN(Cc2ccc(C(C)C)cc2)C1.CCC1CC(F)(F)CN1Cc1ccc(C(C)C)cc1.CCCN1CCN(Cc2ccc(C(C)C)cn2)CC1
InChIInChI=1S/C16H23F2N.C16H27N3.2C16H25N.C15H22FN.C15H23NO2S.C15H23NO.2C15H23N.C14H23N3.C14H21NO/c1-4-15-9-16(17,18)11-19(15)10-13-5-7-14(8-6-13)12(2)3;1-4-7-18-8-10-19(11-9-18)13-16-6-5-15(12-17-16)14(2)3;2*1-13(2)15-7-5-14(6-8-15)11-17-10-9-16(3,4)12-17;1-12(2)14-6-4-13(5-7-14)10-17-9-8-15(3,16)11-17;1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(11-16)19(3,17)18;1-11(2)14-6-4-13(5-7-14)9-16-8-12(3)15(17)10-16;2*1-12(2)15-6-4-14(5-7-15)11-16-9-8-13(3)10-16;1-12(2)13-4-5-14(15-10-13)11-17-8-6-16(3)7-9-17;1-11(2)12-4-6-13(7-5-12)16-14-8-9-15(3)10-14/h5-8,12,15H,4,9-11H2,1-3H3;5-6,12,14H,4,7-11,13H2,1-3H3;2*5-8,13H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,11-12,15,17H,8-10H2,1-3H3;2*4-7,12-13H,8-11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;4-7,11,14H,8-10H2,1-3H3
InChIKeyIBDCYGDRMYXZRI-UHFFFAOYSA-N
XLogP36.19
TPSA131.50 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002629.06
LogP ≤ 536.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine with MolForge

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Related Compounds

4-Tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157238991
3-(4-Tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 159171472
Bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);1,2-dimethyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;2-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]-1-propylpiperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 159312991
3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160045772
2-Benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;4-ethoxy-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;2-(phenoxymethyl)-1-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;3-(1-propan-2-ylpyrrolidin-2-yl)pyridine;4-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;2,4,4-trimethyl-1-propan-2-ylpyrrolidine
CID 160052929
2-Benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;4-ethoxy-1-propan-2-ylpiperidine;2-(4-fluorophenyl)-1-propan-2-ylpyrrolidine;3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine;4-methoxy-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;2-(phenoxymethyl)-1-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;3-(1-propan-2-ylpyrrolidin-2-yl)pyridine;4-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;2,3,3-trimethyl-1-propan-2-ylpiperidine;2,4,4-trimethyl-1-propan-2-ylpyrrolidine
CID 160304752
2-Benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;4-ethoxy-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;2-(phenoxymethyl)-1-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;3-(1-propan-2-ylpyrrolidin-2-yl)pyridine;4-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;2,4,4-trimethyl-1-propan-2-ylpyrrolidine
CID 160961388
5-(3-benzylpyrrolidin-1-yl)sulfonyl-7H-pyrrolo[3,4-b]pyridine;N-[2-(4-tert-butylphenoxy)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;5-(3-methylsulfonylpyrrolidin-1-yl)sulfonyl-7H-pyrrolo[3,4-b]pyridine;N-[1-(4-phenylphenyl)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 158054122
5-(3-benzylpyrrolidin-1-yl)sulfonyl-7H-pyrrolo[3,4-b]pyridine;N-[2-(4-tert-butylphenoxy)ethyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[[4-(4-fluorophenoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;5-(3-methylsulfonylpyrrolidin-1-yl)sulfonyl-7H-pyrrolo[3,4-b]pyridine
CID 159768317

Frequently Asked Questions

What is the IUPAC name of bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine?
The IUPAC name of bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine (CID 158647387) is bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine.
What is the SMILES notation for bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine?
The canonical SMILES for bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine is CC(C)c1ccc(CN2CC(C)C(O)C2)cc1.CC(C)c1ccc(CN2CCC(C)(C)C2)cc1.CC(C)c1ccc(CN2CCC(C)(C)C2)cc1.CC(C)c1ccc(CN2CCC(C)(F)C2)cc1.CC(C)c1ccc(CN2CCC(S(C)(=O)=O)C2)cc1.CC(C)c1ccc(CN2CCN(C)CC2)nc1.CC(C)c1ccc(OC2CCN(C)C2)cc1.CC1CCN(Cc2ccc(C(C)C)cc2)C1.CC1CCN(Cc2ccc(C(C)C)cc2)C1.CCC1CC(F)(F)CN1Cc1ccc(C(C)C)cc1.CCCN1CCN(Cc2ccc(C(C)C)cn2)CC1.
What is the InChIKey of bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine?
The InChIKey is IBDCYGDRMYXZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N.C16H27N3.2C16H25N.C15H22FN.C15H23NO2S.C15H23NO.2C15H23N.C14H23N3.C14H21NO/c1-4-15-9-16(17,18)11-19(15)10-13-5-7-14(8-6-13)12(2)3;1-4-7-18-8-10-19(11-9-18)13-16-6-5-15(12-17-16)14(2)3;2*1-13(2)15-7-5-14(6-8-15)11-17-10-9-16(3,4)12-17;1-12(2)14-6-4-13(5-7-14)10-17-9-8-15(3,16)11-17;1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(11-16)19(3,17)18;1-11(2)14-6-4-13(5-7-14)9-16-8-12(3)15(17)10-16;2*1-12(2)15-6-4-14(5-7-15)11-16-9-8-13(3)10-16;1-12(2)13-4-5-14(15-10-13)11-17-8-6-16(3)7-9-17;1-11(2)12-4-6-13(7-5-12)16-14-8-9-15(3)10-14/h5-8,12,15H,4,9-11H2,1-3H3;5-6,12,14H,4,7-11,13H2,1-3H3;2*5-8,13H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-7,11-12,15,17H,8-10H2,1-3H3;2*4-7,12-13H,8-11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;4-7,11,14H,8-10H2,1-3H3.
What are the key properties of bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine?
bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine has a molecular weight of 2629.06 g/mol, XLogP of 36.19, 37 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);2-ethyl-4,4-difluoro-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-fluoro-3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-methyl-3-(4-propan-2-ylphenoxy)pyrrolidine;bis(3-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine);4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol;1-methyl-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine;3-methylsulfonyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-[(5-propan-2-yl-2-pyridinyl)methyl]-4-propylpiperazine is sourced from PubChem (CID 158647387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).