4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole

C82H134F2N10 — CID 158846967

IUPAC4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)n1cccc1.CC1(F)CN(C(C)(C)C)C1.Cc1cc(C(C)(C)C)ccn1.Cc1cccn1C(C)(C)C.Cc1ccn(C(C)(C)C)c1
InChIInChI=1S/C12H23N.C10H15N.C9H12FN.2C9H15N.C9H13N.C8H16FN.C8H12N2.C8H13N/c1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-8-5-6-10(7-8)9(2,3)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-4-5-7-9/h10-11H,4-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-6H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3
InChIKeyIYYNCWAOTLIJMO-UHFFFAOYSA-N
MW1298.04 g/mol
LogP21.44
Rot. Bonds1

About 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole

4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole (PubChem CID 158846967) has the molecular formula C82H134F2N10 and a molecular weight of 1298.04 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole
PubChem CID158846967
Molecular FormulaC82H134F2N10
Molecular Weight1298.04 g/mol
Exact Mass1297.08
IUPAC Name4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)n1cccc1.CC1(F)CN(C(C)(C)C)C1.Cc1cc(C(C)(C)C)ccn1.Cc1cccn1C(C)(C)C.Cc1ccn(C(C)(C)C)c1
InChIInChI=1S/C12H23N.C10H15N.C9H12FN.2C9H15N.C9H13N.C8H16FN.C8H12N2.C8H13N/c1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-8-5-6-10(7-8)9(2,3)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-4-5-7-9/h10-11H,4-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-6H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3
InChIKeyIYYNCWAOTLIJMO-UHFFFAOYSA-N
XLogP21.44
TPSA85.72 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.04
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole with MolForge

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Related Compounds

2-[4-[3-[2-(3,3-difluoroazetidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]phenyl]-N-(4-methylpyridin-2-yl)-6-piperidin-3-ylpyrimidin-4-amine
CID 123690363
2-(3,3-difluoropyrrolidin-1-yl)-N-[6-[[1-[4-(1-methylpiperidin-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-2-yl]pyrrolidin-2-yl]methyl]-4-propan-2-yl-2-pyridinyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 123719409
2-[2-[3-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]-5,5-difluoropiperidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 123778904
N-[5-fluoro-4-[1-[5-(1-fluoroethenyl)-2-methyl-3-propan-2-ylimidazol-4-yl]propan-2-yl]-2-pyridinyl]-N-methyl-5-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pyrimidin-2-amine
CID 135162107
2-(3,3-difluoroazetidin-1-yl)-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;ethane;N-(4-methyl-2-pyridinyl)-2-phenyl-6-piperidin-3-ylpyrimidin-4-amine
CID 144740131
2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-4-yl-N-(4-propan-2-yl-2-pyridinyl)pyrimidin-4-amine;ethane;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740207
2-[2-[[3-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740221
2-(3,3-difluoropiperidin-1-yl)-N-[4-(1,1-difluoropropyl)-2-pyridinyl]-6-piperidin-4-ylpyrimidin-4-amine;2-(3,3-difluoropyrrolidin-1-yl)-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740251
3-methyl-1-[5-[[7-[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629346
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine
CID 155373918
8-(Difluoromethyl)-5-[[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]methyl]-11-[5-fluoro-6-[[7-(5-fluoro-6-methyl-3-pyridinyl)-5-methylpyrido[4,3-b]indol-3-yl]methyl]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155583351
8-(Difluoromethyl)-5-[[5-[8-(difluoromethyl)-5-[[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-2-pyridinyl]methyl]-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155583669

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole?
The IUPAC name of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole (CID 158846967) is 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole?
The canonical SMILES for 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole is CC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)n1cccc1.CC1(F)CN(C(C)(C)C)C1.Cc1cc(C(C)(C)C)ccn1.Cc1cccn1C(C)(C)C.Cc1ccn(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole?
The InChIKey is IYYNCWAOTLIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C10H15N.C9H12FN.2C9H15N.C9H13N.C8H16FN.C8H12N2.C8H13N/c1-12(2,3)10-6-8-13(9-7-10)11-4-5-11;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-8-5-6-10(7-8)9(2,3)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-4-5-7-9/h10-11H,4-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-6H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole?
4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole has a molecular weight of 1298.04 g/mol, XLogP of 21.44, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;1-tert-butyl-3-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole is sourced from PubChem (CID 158846967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).