4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine

C89H167F7N16 — CID 159263947

IUPAC4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(F)CC1.CC(C)N1CCC[C@H](C)C1.CC(F)C1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/C10H20FN.C10H21N.C9H16F3N.C9H19N.C8H15F2N.C8H16FN.C8H13N.3C7H12N2.C6H11N3/c1-8(2)12-6-4-10(5-7-12)9(3)11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)13-5-3-8(4-6-13)9(10,11)12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9/h8-10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3/t;;;9-;;;;;;;/m...0......./s1
InChIKeyKWWAGKSNDGFIAF-MOCWETNYSA-N
MW1594.41 g/mol
LogP22.59
Rot. Bonds13

About 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine

4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 159263947) has the molecular formula C89H167F7N16 and a molecular weight of 1594.41 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID159263947
Molecular FormulaC89H167F7N16
Molecular Weight1594.41 g/mol
Exact Mass1593.34
IUPAC Name4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(F)CC1.CC(C)N1CCC[C@H](C)C1.CC(F)C1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/C10H20FN.C10H21N.C9H16F3N.C9H19N.C8H15F2N.C8H16FN.C8H13N.3C7H12N2.C6H11N3/c1-8(2)12-6-4-10(5-7-12)9(3)11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)13-5-3-8(4-6-13)9(10,11)12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9/h8-10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3/t;;;9-;;;;;;;/m...0......./s1
InChIKeyKWWAGKSNDGFIAF-MOCWETNYSA-N
XLogP22.59
TPSA108.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001594.41
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine (CID 159263947) is 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(F)CC1.CC(C)N1CCC[C@H](C)C1.CC(F)C1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1.
What is the InChIKey of 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is KWWAGKSNDGFIAF-MOCWETNYSA-N. The full InChI is InChI=1S/C10H20FN.C10H21N.C9H16F3N.C9H19N.C8H15F2N.C8H16FN.C8H13N.3C7H12N2.C6H11N3/c1-8(2)12-6-4-10(5-7-12)9(3)11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)13-5-3-8(4-6-13)9(10,11)12;1-8(2)10-6-4-5-9(3)7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9/h8-10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3/t;;;9-;;;;;;;/m...0......./s1.
What are the key properties of 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine?
4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 1594.41 g/mol, XLogP of 22.59, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;4-(1-fluoroethyl)-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 159263947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).