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

C136H206F3N17 — CID 158942869

IUPAC2-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
SMILESCC(C)(C)C1CN(C2CCC2)CCN1Cc1ccc(C#N)cc1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1ccc2ccccc2c1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1cccc(C#N)c1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1cccc(C(F)(F)F)c1.CN1CCN(C2CCC2)CC1C(C)(C)C.Cc1ccc(CN2CCN(C3CCC3)CC2C(C)(C)C)cc1.[C-]#[N+]c1ccccc1CN1CCN(C2CCC2)CC1C(C)(C)C
InChIInChI=1S/C23H32N2.C20H29F3N2.3C20H29N3.C20H32N2.C13H26N2/c1-23(2,3)22-17-24(21-9-6-10-21)13-14-25(22)16-18-11-12-19-7-4-5-8-20(19)15-18;1-19(2,3)18-14-24(17-8-5-9-17)10-11-25(18)13-15-6-4-7-16(12-15)20(21,22)23;1-20(2,3)19-15-22(17-9-7-10-17)12-13-23(19)14-16-8-5-6-11-18(16)21-4;1-20(2,3)19-15-22(18-8-5-9-18)10-11-23(19)14-17-7-4-6-16(12-17)13-21;1-20(2,3)19-15-22(18-5-4-6-18)11-12-23(19)14-17-9-7-16(13-21)8-10-17;1-16-8-10-17(11-9-16)14-22-13-12-21(18-6-5-7-18)15-19(22)20(2,3)4;1-13(2,3)12-10-15(9-8-14(12)4)11-6-5-7-11/h4-5,7-8,11-12,15,21-22H,6,9-10,13-14,16-17H2,1-3H3;4,6-7,12,17-18H,5,8-11,13-14H2,1-3H3;5-6,8,11,17,19H,7,9-10,12-15H2,1-3H3;4,6-7,12,18-19H,5,8-11,14-15H2,1-3H3;7-10,18-19H,4-6,11-12,14-15H2,1-3H3;8-11,18-19H,5-7,12-15H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyJKLVTKNLQZNJNT-UHFFFAOYSA-N
MW2136.26 g/mol
LogP27.60
Rot. Bonds19

About 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

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 (PubChem CID 158942869) has the molecular formula C136H206F3N17 and a molecular weight of 2136.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158942869
Molecular FormulaC136H206F3N17
Molecular Weight2136.26 g/mol
Exact Mass2134.66
IUPAC Name2-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
SMILESCC(C)(C)C1CN(C2CCC2)CCN1Cc1ccc(C#N)cc1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1ccc2ccccc2c1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1cccc(C#N)c1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1cccc(C(F)(F)F)c1.CN1CCN(C2CCC2)CC1C(C)(C)C.Cc1ccc(CN2CCN(C3CCC3)CC2C(C)(C)C)cc1.[C-]#[N+]c1ccccc1CN1CCN(C2CCC2)CC1C(C)(C)C
InChIInChI=1S/C23H32N2.C20H29F3N2.3C20H29N3.C20H32N2.C13H26N2/c1-23(2,3)22-17-24(21-9-6-10-21)13-14-25(22)16-18-11-12-19-7-4-5-8-20(19)15-18;1-19(2,3)18-14-24(17-8-5-9-17)10-11-25(18)13-15-6-4-7-16(12-15)20(21,22)23;1-20(2,3)19-15-22(17-9-7-10-17)12-13-23(19)14-16-8-5-6-11-18(16)21-4;1-20(2,3)19-15-22(18-8-5-9-18)10-11-23(19)14-17-7-4-6-16(12-17)13-21;1-20(2,3)19-15-22(18-5-4-6-18)11-12-23(19)14-17-9-7-16(13-21)8-10-17;1-16-8-10-17(11-9-16)14-22-13-12-21(18-6-5-7-18)15-19(22)20(2,3)4;1-13(2,3)12-10-15(9-8-14(12)4)11-6-5-7-11/h4-5,7-8,11-12,15,21-22H,6,9-10,13-14,16-17H2,1-3H3;4,6-7,12,17-18H,5,8-11,13-14H2,1-3H3;5-6,8,11,17,19H,7,9-10,12-15H2,1-3H3;4,6-7,12,18-19H,5,8-11,14-15H2,1-3H3;7-10,18-19H,4-6,11-12,14-15H2,1-3H3;8-11,18-19H,5-7,12-15H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyJKLVTKNLQZNJNT-UHFFFAOYSA-N
XLogP27.60
TPSA97.30 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.26
LogP ≤ 527.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1CN(C2CCC2)CCN1Cc1ccc(C#N)cc1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1ccc2ccccc2c1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1cccc(C#N)c1.CC(C)(C)C1CN(C2CCC2)CCN1Cc1cccc(C(F)(F)F)c1.CN1CCN(C2CCC2)CC1C(C)(C)C.Cc1ccc(CN2CCN(C3CCC3)CC2C(C)(C)C)cc1.[C-]#[N+]c1ccccc1CN1CCN(C2CCC2)CC1C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is JKLVTKNLQZNJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.C20H29F3N2.3C20H29N3.C20H32N2.C13H26N2/c1-23(2,3)22-17-24(21-9-6-10-21)13-14-25(22)16-18-11-12-19-7-4-5-8-20(19)15-18;1-19(2,3)18-14-24(17-8-5-9-17)10-11-25(18)13-15-6-4-7-16(12-15)20(21,22)23;1-20(2,3)19-15-22(17-9-7-10-17)12-13-23(19)14-16-8-5-6-11-18(16)21-4;1-20(2,3)19-15-22(18-8-5-9-18)10-11-23(19)14-17-7-4-6-16(12-17)13-21;1-20(2,3)19-15-22(18-5-4-6-18)11-12-23(19)14-17-9-7-16(13-21)8-10-17;1-16-8-10-17(11-9-16)14-22-13-12-21(18-6-5-7-18)15-19(22)20(2,3)4;1-13(2,3)12-10-15(9-8-14(12)4)11-6-5-7-11/h4-5,7-8,11-12,15,21-22H,6,9-10,13-14,16-17H2,1-3H3;4,6-7,12,17-18H,5,8-11,13-14H2,1-3H3;5-6,8,11,17,19H,7,9-10,12-15H2,1-3H3;4,6-7,12,18-19H,5,8-11,14-15H2,1-3H3;7-10,18-19H,4-6,11-12,14-15H2,1-3H3;8-11,18-19H,5-7,12-15H2,1-4H3;11-12H,5-10H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2136.26 g/mol, XLogP of 27.60, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158942869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).