1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine

C135H214N12O4 — CID 160875908

IUPAC1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine
SMILESCC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ncccn1.CCCOc1ccc(C(C)(C)C)cc1.CCN1CCC(C#CC(C)(C)C)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN(c1ccc(C(C)(C)C)cc1)C1CCOCC1.COCCOc1ccc(C(C)(C)C)cc1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C17H28N2.C16H26N2.C16H25NO.2C15H23N.C13H23N.C13H20O2.C13H20O.C9H14N2.C8H12N2/c1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-5-17-10-12-18(13-11-17)15-8-6-14(7-9-15)16(2,3)4;1-16(2,3)13-5-7-14(8-6-13)17(4)15-9-11-18-12-10-15;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-5-14-10-7-12(8-11-14)6-9-13(2,3)4;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7/h6-9H,5,10-14H2,1-4H3;6-9H,5,10-13H2,1-4H3;5-8,15H,9-12H2,1-4H3;2*7-10H,4-6,11-12H2,1-3H3;12H,5,7-8,10-11H2,1-4H3;5-8H,9-10H2,1-4H3;6-9H,5,10H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3
InChIKeySMJRQJWIFBOXNU-UHFFFAOYSA-N
MW2069.28 g/mol
LogP31.20
Rot. Bonds17

About 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine

1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine (PubChem CID 160875908) has the molecular formula C135H214N12O4 and a molecular weight of 2069.28 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine
PubChem CID160875908
Molecular FormulaC135H214N12O4
Molecular Weight2069.28 g/mol
Exact Mass2067.69
IUPAC Name1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine
SMILESCC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ncccn1.CCCOc1ccc(C(C)(C)C)cc1.CCN1CCC(C#CC(C)(C)C)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN(c1ccc(C(C)(C)C)cc1)C1CCOCC1.COCCOc1ccc(C(C)(C)C)cc1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C17H28N2.C16H26N2.C16H25NO.2C15H23N.C13H23N.C13H20O2.C13H20O.C9H14N2.C8H12N2/c1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-5-17-10-12-18(13-11-17)15-8-6-14(7-9-15)16(2,3)4;1-16(2,3)13-5-7-14(8-6-13)17(4)15-9-11-18-12-10-15;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-5-14-10-7-12(8-11-14)6-9-13(2,3)4;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7/h6-9H,5,10-14H2,1-4H3;6-9H,5,10-13H2,1-4H3;5-8,15H,9-12H2,1-4H3;2*7-10H,4-6,11-12H2,1-3H3;12H,5,7-8,10-11H2,1-4H3;5-8H,9-10H2,1-4H3;6-9H,5,10H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3
InChIKeySMJRQJWIFBOXNU-UHFFFAOYSA-N
XLogP31.20
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002069.28
LogP ≤ 531.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine with MolForge

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Related Compounds

CID 157111127
CID 157111127
CID 157231012
CID 157231012
5-Butyl-2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]phenyl]pyridine;5-butyl-2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]phenyl]pyrimidine;5-butyl-2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]phenyl]pyridine;5-butyl-2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]phenyl]pyrimidine;5-[2-[4-(4-butylphenyl)phenyl]ethynyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-[4-(4-butylphenyl)phenyl]ethynyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 157392899
CID 157725867
CID 157725867
CID 158515808
CID 158515808
CID 158584934
CID 158584934
CID 158721501
CID 158721501
CID 158839433
CID 158839433
CID 159342685
CID 159342685
5-(4-Tert-butylphenyl)-3-methyl-2-propan-2-ylpyrazine;2-(4-tert-butylpiperidin-1-yl)-4,6-dimethyl-5-propan-2-ylpyrimidine;2-[4-(1,1-difluoro-2-methylpropyl)phenyl]-4-methyl-5-propan-2-ylpyrimidine;2-[4-(3,3-dimethylbutoxy)phenyl]-4,6-dimethyl-5-propan-2-ylpyrimidine;2-[4-(3,3-dimethylbutoxy)phenyl]-4-methyl-5-propan-2-ylpyrimidine
CID 160442984
CID 160567437
CID 160567437
CID 161040125
CID 161040125

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine?
The IUPAC name of 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine (CID 160875908) is 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine?
The canonical SMILES for 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine is CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ncccn1.CCCOc1ccc(C(C)(C)C)cc1.CCN1CCC(C#CC(C)(C)C)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN(c1ccc(C(C)(C)C)cc1)C1CCOCC1.COCCOc1ccc(C(C)(C)C)cc1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine?
The InChIKey is SMJRQJWIFBOXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C16H26N2.C16H25NO.2C15H23N.C13H23N.C13H20O2.C13H20O.C9H14N2.C8H12N2/c1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-5-17-10-12-18(13-11-17)15-8-6-14(7-9-15)16(2,3)4;1-16(2,3)13-5-7-14(8-6-13)17(4)15-9-11-18-12-10-15;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-5-14-10-7-12(8-11-14)6-9-13(2,3)4;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-7-10-5-8(6-11-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7/h6-9H,5,10-14H2,1-4H3;6-9H,5,10-13H2,1-4H3;5-8,15H,9-12H2,1-4H3;2*7-10H,4-6,11-12H2,1-3H3;12H,5,7-8,10-11H2,1-4H3;5-8H,9-10H2,1-4H3;6-9H,5,10H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine?
1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine has a molecular weight of 2069.28 g/mol, XLogP of 31.20, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine is sourced from PubChem (CID 160875908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).