1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile

C148H229Cl2F4N23O3 — CID 160837429

About 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile

1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile (PubChem CID 160837429) has the molecular formula C148H229Cl2F4N23O3 and a molecular weight of 2525.52 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
• PubChem CID: 160837429
• Molecular Formula: C148H229Cl2F4N23O3
• Molecular Weight: 2525.52 g/mol
• Exact Mass: 2522.78
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
• SMILES: CC(C)N1CCN(Cc2c(F)cccc2F)CC1.CC(C)N1CCN(Cc2cc(F)cc(F)c2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1.CC(C)N1CCN(Cc2cccc(Cl)c2)CC1.CC(C)N1CCN(Cc2ccccc2C#N)CC1.CC(C)N1CCN(Cc2ccccc2Cl)CC1.CC(C)N1CCN(Cc2ccccc2N(C)C)CC1.COc1ccc(CN2CCN(C(C)C)CC2)cc1.COc1cccc(CN2CCN(C(C)C)CC2)c1.COc1ccccc1CN1CCN(C(C)C)CC1
• InChI: InChI=1S/2C16H27N3.C15H21N3.3C15H24N2O.2C14H21ClN2.2C14H20F2N2/c1-14(2)19-11-9-18(10-12-19)13-15-5-7-16(8-6-15)17(3)4;1-14(2)19-11-9-18(10-12-19)13-15-7-5-6-8-16(15)17(3)4;1-13(2)18-9-7-17(8-10-18)12-15-6-4-3-5-14(15)11-16;1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14;1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;1-13(2)17-10-8-16(9-11-17)12-14-6-4-5-7-15(14)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15;1-11(2)18-5-3-17(4-6-18)10-12-7-13(15)9-14(16)8-12;1-11(2)18-8-6-17(7-9-18)10-12-13(15)4-3-5-14(12)16/h2*5-8,14H,9-13H2,1-4H3;3-6,13H,7-10,12H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-7,13H,8-12H2,1-3H3;3-5,10,12H,6-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-9,11H,3-6,10H2,1-2H3;3-5,11H,6-10H2,1-2H3
• InChIKey: SHOWWKQWEBGBPA-UHFFFAOYSA-N
• XLogP: 24.02
• TPSA: 122.76 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.52
LogP ≤ 5	24.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile?

The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile (CID 160837429) is 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile?

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile is CC(C)N1CCN(Cc2c(F)cccc2F)CC1.CC(C)N1CCN(Cc2cc(F)cc(F)c2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1.CC(C)N1CCN(Cc2cccc(Cl)c2)CC1.CC(C)N1CCN(Cc2ccccc2C#N)CC1.CC(C)N1CCN(Cc2ccccc2Cl)CC1.CC(C)N1CCN(Cc2ccccc2N(C)C)CC1.COc1ccc(CN2CCN(C(C)C)CC2)cc1.COc1cccc(CN2CCN(C(C)C)CC2)c1.COc1ccccc1CN1CCN(C(C)C)CC1.

What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile?

The InChIKey is SHOWWKQWEBGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H27N3.C15H21N3.3C15H24N2O.2C14H21ClN2.2C14H20F2N2/c1-14(2)19-11-9-18(10-12-19)13-15-5-7-16(8-6-15)17(3)4;1-14(2)19-11-9-18(10-12-19)13-15-7-5-6-8-16(15)17(3)4;1-13(2)18-9-7-17(8-10-18)12-15-6-4-3-5-14(15)11-16;1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14;1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;1-13(2)17-10-8-16(9-11-17)12-14-6-4-5-7-15(14)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15;1-11(2)18-5-3-17(4-6-18)10-12-7-13(15)9-14(16)8-12;1-11(2)18-8-6-17(7-9-18)10-12-13(15)4-3-5-14(12)16/h2*5-8,14H,9-13H2,1-4H3;3-6,13H,7-10,12H2,1-2H3;4-7,13H,8-12H2,1-3H3;4-6,11,13H,7-10,12H2,1-3H3;4-7,13H,8-12H2,1-3H3;3-5,10,12H,6-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;7-9,11H,3-6,10H2,1-2H3;3-5,11H,6-10H2,1-2H3.

What are the key properties of 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile?

1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile has a molecular weight of 2525.52 g/mol, XLogP of 24.02, 35 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-chlorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylpiperazine;1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;N,N-dimethyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline;1-[(2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;1-[(4-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;2-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 160837429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).