4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol

C80H133F3N10O — CID 161182986

IUPAC4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)n1cccc1.Cc1cc(C(C)(C)C)ccn1.Cc1cccn1C(C)(C)C
InChIInChI=1S/C12H23N.C10H15N.C9H12FN.C9H15N.C9H13N.C8H12N2.C8H17NO.C8H13N.C7H13F2N/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;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h10-11H,4-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;7,10H,4-6H2,1-3H3;4-7H,1-3H3;4-5H2,1-3H3/t;;;;;;7-;;/m......1../s1
InChIKeyUSSHTZYCMMOJKO-CZAPVXDASA-N
MW1308.01 g/mol
LogP19.65
Rot. Bonds1

About 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol

4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol (PubChem CID 161182986) has the molecular formula C80H133F3N10O and a molecular weight of 1308.01 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol
PubChem CID161182986
Molecular FormulaC80H133F3N10O
Molecular Weight1308.01 g/mol
Exact Mass1307.06
IUPAC Name4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)n1cccc1.Cc1cc(C(C)(C)C)ccn1.Cc1cccn1C(C)(C)C
InChIInChI=1S/C12H23N.C10H15N.C9H12FN.C9H15N.C9H13N.C8H12N2.C8H17NO.C8H13N.C7H13F2N/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;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h10-11H,4-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;7,10H,4-6H2,1-3H3;4-7H,1-3H3;4-5H2,1-3H3/t;;;;;;7-;;/m......1../s1
InChIKeyUSSHTZYCMMOJKO-CZAPVXDASA-N
XLogP19.65
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.01
LogP ≤ 519.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane
CID 157495214
(1R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;methane
CID 159338718
4-[(2R)-2-tert-butylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;(3S,4R)-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 160223858
4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 161363968
1-[4-[[4-[Cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[4-[[4-[cyclopropyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[4-[[4-[cyclopropyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one
CID 167586495
1-[(3R)-4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[(3R)-4-[[4-[cyclopropyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one;1-[(3R)-4-[[4-[cyclopropyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]propan-2-one
CID 167586498
1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol;1-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 157634826
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
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;(3R)-1-tert-butyl-3-methylpyrrolidine;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;methane
CID 159324292
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol;1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 161327868
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;(3R)-1-tert-butyl-3-methylpyrrolidine;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole
CID 161587648
4-(azetidin-1-ylmethyl)-2-cyclopropyl-6-propan-2-ylpyrimidine;2-cyclopropyl-4-[1-(3-fluoroazetidin-1-yl)ethyl]-6-propan-2-ylpyrimidine;2-cyclopropyl-4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-ylpyrimidine;2-cyclopropyl-4-methyl-6-propan-2-ylpyridine;2-cyclopropyl-4-methyl-6-propan-2-ylpyrimidine;1-(2-cyclopropyl-6-propan-2-ylpyrimidin-4-yl)-N,N-dimethylmethanamine;5-[(2-cyclopropyl-6-propan-2-ylpyrimidin-4-yl)methyl]-5-azaspiro[2.4]heptane;1-[(2-cyclopropyl-6-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-ol;2-cyclopropyl-4-propan-2-yl-6-(triazol-1-ylmethyl)pyrimidine
CID 167615416

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol?
The IUPAC name of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol (CID 161182986) is 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol?
The canonical SMILES for 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol is CC(C)(C)C1CCN(C2CC2)CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)n1cccc1.Cc1cc(C(C)(C)C)ccn1.Cc1cccn1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol?
The InChIKey is USSHTZYCMMOJKO-CZAPVXDASA-N. The full InChI is InChI=1S/C12H23N.C10H15N.C9H12FN.C9H15N.C9H13N.C8H12N2.C8H17NO.C8H13N.C7H13F2N/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;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h10-11H,4-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;7,10H,4-6H2,1-3H3;4-7H,1-3H3;4-5H2,1-3H3/t;;;;;;7-;;/m......1../s1.
What are the key properties of 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol?
4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol has a molecular weight of 1308.01 g/mol, XLogP of 19.65, 1 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylpiperidine;1-tert-butyl-3,3-difluoroazetidine;2-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;(3R)-1-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 161182986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).