4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide

C118H172F4N10O4 — CID 158272240

IUPAC4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide
SMILESCC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C(=O)Nc2cnn(C3CCNCC3)c2)cc1.CC(C)(C)c1ccc(C2=CCNCC2)cc1.CC(C)(C)c1ccc(C2CCN(CCC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCN(CCF)CC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)cc1.COC1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H26N4O.C18H26F3N.C17H26FN.C17H25NO2.C17H25NO.C15H23N.C15H21N/c1-19(2,3)15-6-4-14(5-7-15)18(24)22-16-12-21-23(13-16)17-8-10-20-11-9-17;1-17(2,3)16-6-4-14(5-7-16)15-8-11-22(12-9-15)13-10-18(19,20)21;1-17(2,3)16-6-4-14(5-7-16)15-8-11-19(12-9-15)13-10-18;1-17(2,3)14-9-7-13(8-10-14)16(19)18-11-5-6-15(12-18)20-4;1-13(19)18-11-9-15(10-12-18)14-5-7-16(8-6-14)17(2,3)4;2*1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-7,12-13,17,20H,8-11H2,1-3H3,(H,22,24);4-7,15H,8-13H2,1-3H3;4-7,15H,8-13H2,1-3H3;7-10,15H,5-6,11-12H2,1-4H3;5-8,15H,9-12H2,1-4H3;4-7,13,16H,8-11H2,1-3H3;4-8,16H,9-11H2,1-3H3
InChIKeyGJEIADXKCGZYOA-UHFFFAOYSA-N
MW1870.73 g/mol
LogP26.36
Rot. Bonds14

About 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide

4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide (PubChem CID 158272240) has the molecular formula C118H172F4N10O4 and a molecular weight of 1870.73 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide
PubChem CID158272240
Molecular FormulaC118H172F4N10O4
Molecular Weight1870.73 g/mol
Exact Mass1869.35
IUPAC Name4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide
SMILESCC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C(=O)Nc2cnn(C3CCNCC3)c2)cc1.CC(C)(C)c1ccc(C2=CCNCC2)cc1.CC(C)(C)c1ccc(C2CCN(CCC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCN(CCF)CC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)cc1.COC1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H26N4O.C18H26F3N.C17H26FN.C17H25NO2.C17H25NO.C15H23N.C15H21N/c1-19(2,3)15-6-4-14(5-7-15)18(24)22-16-12-21-23(13-16)17-8-10-20-11-9-17;1-17(2,3)16-6-4-14(5-7-16)15-8-11-22(12-9-15)13-10-18(19,20)21;1-17(2,3)16-6-4-14(5-7-16)15-8-11-19(12-9-15)13-10-18;1-17(2,3)14-9-7-13(8-10-14)16(19)18-11-5-6-15(12-18)20-4;1-13(19)18-11-9-15(10-12-18)14-5-7-16(8-6-14)17(2,3)4;2*1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-7,12-13,17,20H,8-11H2,1-3H3,(H,22,24);4-7,15H,8-13H2,1-3H3;4-7,15H,8-13H2,1-3H3;7-10,15H,5-6,11-12H2,1-4H3;5-8,15H,9-12H2,1-4H3;4-7,13,16H,8-11H2,1-3H3;4-8,16H,9-11H2,1-3H3
InChIKeyGJEIADXKCGZYOA-UHFFFAOYSA-N
XLogP26.36
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.73
LogP ≤ 526.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide (CID 158272240) is 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide is CC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C(=O)Nc2cnn(C3CCNCC3)c2)cc1.CC(C)(C)c1ccc(C2=CCNCC2)cc1.CC(C)(C)c1ccc(C2CCN(CCC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCN(CCF)CC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)cc1.COC1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide?
The InChIKey is GJEIADXKCGZYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.C18H26F3N.C17H26FN.C17H25NO2.C17H25NO.C15H23N.C15H21N/c1-19(2,3)15-6-4-14(5-7-15)18(24)22-16-12-21-23(13-16)17-8-10-20-11-9-17;1-17(2,3)16-6-4-14(5-7-16)15-8-11-22(12-9-15)13-10-18(19,20)21;1-17(2,3)16-6-4-14(5-7-16)15-8-11-19(12-9-15)13-10-18;1-17(2,3)14-9-7-13(8-10-14)16(19)18-11-5-6-15(12-18)20-4;1-13(19)18-11-9-15(10-12-18)14-5-7-16(8-6-14)17(2,3)4;2*1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-7,12-13,17,20H,8-11H2,1-3H3,(H,22,24);4-7,15H,8-13H2,1-3H3;4-7,15H,8-13H2,1-3H3;7-10,15H,5-6,11-12H2,1-4H3;5-8,15H,9-12H2,1-4H3;4-7,13,16H,8-11H2,1-3H3;4-8,16H,9-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide?
4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide has a molecular weight of 1870.73 g/mol, XLogP of 26.36, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-(2-fluoroethyl)piperidine;(4-tert-butylphenyl)-(3-methoxypiperidin-1-yl)methanone;4-(4-tert-butylphenyl)piperidine;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;4-(4-tert-butylphenyl)-1,2,3,6-tetrahydropyridine;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;4-tert-butyl-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 158272240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).