4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine

C133H178F9N17S — CID 157110159

IUPAC4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine
SMILES[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(C#N)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(C(F)(F)F)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(C#N)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(C(F)(F)F)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(SC(F)(F)F)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccccc2C)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccccc2[N+]#[C-])CC1
InChIInChI=1S/C19H25F3N2S.2C19H25F3N2.3C19H25N3.C19H28N2/c1-17(2,3)18(14-23-4)8-10-24(11-9-18)13-15-6-5-7-16(12-15)25-19(20,21)22;1-17(2,3)18(14-23-4)9-11-24(12-10-18)13-15-5-7-16(8-6-15)19(20,21)22;1-17(2,3)18(14-23-4)8-10-24(11-9-18)13-15-6-5-7-16(12-15)19(20,21)22;1-18(2,3)19(15-20-4)10-12-22(13-11-19)14-16-8-6-7-9-17(16)21-5;1-18(2,3)19(15-21-4)9-11-22(12-10-19)14-17-7-5-16(13-20)6-8-17;1-18(2,3)19(15-21-4)8-10-22(11-9-19)14-17-7-5-6-16(12-17)13-20;1-16-8-6-7-9-17(16)14-21-12-10-19(11-13-21,15-20-5)18(2,3)4/h5-7,12H,8-11,13-14H2,1-3H3;5-8H,9-14H2,1-3H3;5-7,12H,8-11,13-14H2,1-3H3;6-9H,10-15H2,1-3H3;5-8H,9-12,14-15H2,1-3H3;5-7,12H,8-11,14-15H2,1-3H3;6-9H,10-15H2,1-4H3
InChIKeyAGTIMTTZEZJEJS-UHFFFAOYSA-N
MW2218.05 g/mol
LogP33.89
Rot. Bonds22

About 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine

4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine (PubChem CID 157110159) has the molecular formula C133H178F9N17S and a molecular weight of 2218.05 g/mol. Its IUPAC name is 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine
PubChem CID157110159
Molecular FormulaC133H178F9N17S
Molecular Weight2218.05 g/mol
Exact Mass2216.40
IUPAC Name4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine
SMILES[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(C#N)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(C(F)(F)F)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(C#N)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(C(F)(F)F)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(SC(F)(F)F)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccccc2C)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccccc2[N+]#[C-])CC1
InChIInChI=1S/C19H25F3N2S.2C19H25F3N2.3C19H25N3.C19H28N2/c1-17(2,3)18(14-23-4)8-10-24(11-9-18)13-15-6-5-7-16(12-15)25-19(20,21)22;1-17(2,3)18(14-23-4)9-11-24(12-10-18)13-15-5-7-16(8-6-15)19(20,21)22;1-17(2,3)18(14-23-4)8-10-24(11-9-18)13-15-6-5-7-16(12-15)19(20,21)22;1-18(2,3)19(15-20-4)10-12-22(13-11-19)14-16-8-6-7-9-17(16)21-5;1-18(2,3)19(15-21-4)9-11-22(12-10-19)14-17-7-5-16(13-20)6-8-17;1-18(2,3)19(15-21-4)8-10-22(11-9-19)14-17-7-5-6-16(12-17)13-20;1-16-8-6-7-9-17(16)14-21-12-10-19(11-13-21,15-20-5)18(2,3)4/h5-7,12H,8-11,13-14H2,1-3H3;5-8H,9-14H2,1-3H3;5-7,12H,8-11,13-14H2,1-3H3;6-9H,10-15H2,1-3H3;5-8H,9-12,14-15H2,1-3H3;5-7,12H,8-11,14-15H2,1-3H3;6-9H,10-15H2,1-4H3
InChIKeyAGTIMTTZEZJEJS-UHFFFAOYSA-N
XLogP33.89
TPSA105.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002218.05
LogP ≤ 533.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine with MolForge

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Related Compounds

1-benzyl-4-tert-butyl-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-phenylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(3-phenylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-piperidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidine;ethane;2-[(3S,4R)-3-fluoro-4-methyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
CID 157579409
1-benzyl-4-tert-butyl-4-(isocyanomethyl)piperidine;2-[(3S,4R)-4-tert-butyl-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile;4-tert-butyl-4-(isocyanomethyl)-1-(1-phenylethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-phenylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(3-phenylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-piperidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidine
CID 158338039
4-Tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;3-[[4-(isocyanomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]benzonitrile
CID 158537152
2-Tert-butyl-4-cyclobutyl-1-[(2-isocyanophenyl)methyl]piperazine;2-tert-butyl-4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazine;2-tert-butyl-4-cyclobutyl-1-methylpiperazine;2-tert-butyl-4-cyclobutyl-1-(naphthalen-2-ylmethyl)piperazine;3-[(2-tert-butyl-4-cyclobutylpiperazin-1-yl)methyl]benzonitrile;4-[(2-tert-butyl-4-cyclobutylpiperazin-1-yl)methyl]benzonitrile;2-tert-butyl-4-cyclobutyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 158942869
4-Tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperidine
CID 160346585
4-Tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperidine
CID 161056448
4-Tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperidine
CID 161347871

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine?
The IUPAC name of 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine (CID 157110159) is 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine is [C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(C#N)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(C(F)(F)F)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(C#N)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(C(F)(F)F)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cccc(SC(F)(F)F)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccccc2C)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccccc2[N+]#[C-])CC1.
What is the InChIKey of 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine?
The InChIKey is AGTIMTTZEZJEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2S.2C19H25F3N2.3C19H25N3.C19H28N2/c1-17(2,3)18(14-23-4)8-10-24(11-9-18)13-15-6-5-7-16(12-15)25-19(20,21)22;1-17(2,3)18(14-23-4)9-11-24(12-10-18)13-15-5-7-16(8-6-15)19(20,21)22;1-17(2,3)18(14-23-4)8-10-24(11-9-18)13-15-6-5-7-16(12-15)19(20,21)22;1-18(2,3)19(15-20-4)10-12-22(13-11-19)14-16-8-6-7-9-17(16)21-5;1-18(2,3)19(15-21-4)9-11-22(12-10-19)14-17-7-5-16(13-20)6-8-17;1-18(2,3)19(15-21-4)8-10-22(11-9-19)14-17-7-5-6-16(12-17)13-20;1-16-8-6-7-9-17(16)14-21-12-10-19(11-13-21,15-20-5)18(2,3)4/h5-7,12H,8-11,13-14H2,1-3H3;5-8H,9-14H2,1-3H3;5-7,12H,8-11,13-14H2,1-3H3;6-9H,10-15H2,1-3H3;5-8H,9-12,14-15H2,1-3H3;5-7,12H,8-11,14-15H2,1-3H3;6-9H,10-15H2,1-4H3.
What are the key properties of 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine?
4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine has a molecular weight of 2218.05 g/mol, XLogP of 33.89, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-(isocyanomethyl)-1-[(2-isocyanophenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidine;3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]benzonitrile;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine is sourced from PubChem (CID 157110159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).