1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)

C147H229ClFN21 — CID 160505773

IUPAC1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)
SMILESCc1cc(F)cc(N2CCN(C(C)C)CC2C)c1.Cc1ccc(N2CCN(C(C)C)C(C)C2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(Cl)c1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2C)c(C)c1.[C-]#[N+]c1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/2C16H26N2.C15H23FN2.2C15H24N2.C14H21ClN2.C14H19N3.3C14H22N2/c1-12(2)18-9-8-17(11-15(18)5)16-7-6-13(3)10-14(16)4;1-12(2)17-8-9-18(15(5)11-17)16-7-6-13(3)10-14(16)4;1-11(2)17-5-6-18(13(4)10-17)15-8-12(3)7-14(16)9-15;2*1-12(2)16-7-9-17(10-8-16)15-6-5-13(3)11-14(15)4;1-11(2)16-6-8-17(9-7-16)14-5-4-12(3)10-13(14)15;1-12(2)16-8-10-17(11-9-16)14-7-5-4-6-13(14)15-3;3*1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14/h2*6-7,10,12,15H,8-9,11H2,1-5H3;7-9,11,13H,5-6,10H2,1-4H3;2*5-6,11-12H,7-10H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-2H3;3*4-7,12H,8-11H2,1-3H3
InChIKeyQSJOFXWGSTTXBI-UHFFFAOYSA-N
MW2345.05 g/mol
LogP28.69
Rot. Bonds20

About 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)

1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine) (PubChem CID 160505773) has the molecular formula C147H229ClFN21 and a molecular weight of 2345.05 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine).

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)
PubChem CID160505773
Molecular FormulaC147H229ClFN21
Molecular Weight2345.05 g/mol
Exact Mass2342.82
IUPAC Name1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)
SMILESCc1cc(F)cc(N2CCN(C(C)C)CC2C)c1.Cc1ccc(N2CCN(C(C)C)C(C)C2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(Cl)c1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2C)c(C)c1.[C-]#[N+]c1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/2C16H26N2.C15H23FN2.2C15H24N2.C14H21ClN2.C14H19N3.3C14H22N2/c1-12(2)18-9-8-17(11-15(18)5)16-7-6-13(3)10-14(16)4;1-12(2)17-8-9-18(15(5)11-17)16-7-6-13(3)10-14(16)4;1-11(2)17-5-6-18(13(4)10-17)15-8-12(3)7-14(16)9-15;2*1-12(2)16-7-9-17(10-8-16)15-6-5-13(3)11-14(15)4;1-11(2)16-6-8-17(9-7-16)14-5-4-12(3)10-13(14)15;1-12(2)16-8-10-17(11-9-16)14-7-5-4-6-13(14)15-3;3*1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14/h2*6-7,10,12,15H,8-9,11H2,1-5H3;7-9,11,13H,5-6,10H2,1-4H3;2*5-6,11-12H,7-10H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-2H3;3*4-7,12H,8-11H2,1-3H3
InChIKeyQSJOFXWGSTTXBI-UHFFFAOYSA-N
XLogP28.69
TPSA69.16 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.05
LogP ≤ 528.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine) with MolForge

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
CID 159035456
1-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine;1-(2-chloro-4-methylphenyl)-4-methylpiperazine;(2S,6R)-4-(2-chloro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-(2,4-dimethylphenyl)-4-methylpiperazine;1-(2,4-dimethylphenyl)piperazine;(2S,6R)-4-(2,4-dimethylphenyl)-1,2,6-trimethylpiperazine;1-(2-fluoro-4,6-dimethylphenyl)-4-methylpiperazine;(2R,6S)-4-(2-fluoro-4-methylphenyl)-1,2,6-trimethylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(2,4,6-trimethylphenyl)piperazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
CID 160620795
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
1-but-1-en-2-yl-4-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 143517140
1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
CID 173374498
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline
CID 60877080
(2R)-2-methyl-4-propan-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 166092554
3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
CID 15124627
tert-butyl (3S)-4-[4-[(3S)-4-benzyl-3-methylpiperazin-1-yl]-3-methylphenyl]-3-methylpiperazine-1-carboxylate
CID 53385358

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine) (CID 160505773) is 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine).
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine) is Cc1cc(F)cc(N2CCN(C(C)C)CC2C)c1.Cc1ccc(N2CCN(C(C)C)C(C)C2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(N2CCN(C(C)C)CC2)c(Cl)c1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2C)c(C)c1.[C-]#[N+]c1ccccc1N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)?
The InChIKey is QSJOFXWGSTTXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26N2.C15H23FN2.2C15H24N2.C14H21ClN2.C14H19N3.3C14H22N2/c1-12(2)18-9-8-17(11-15(18)5)16-7-6-13(3)10-14(16)4;1-12(2)17-8-9-18(15(5)11-17)16-7-6-13(3)10-14(16)4;1-11(2)17-5-6-18(13(4)10-17)15-8-12(3)7-14(16)9-15;2*1-12(2)16-7-9-17(10-8-16)15-6-5-13(3)11-14(15)4;1-11(2)16-6-8-17(9-7-16)14-5-4-12(3)10-13(14)15;1-12(2)16-8-10-17(11-9-16)14-7-5-4-6-13(14)15-3;3*1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14/h2*6-7,10,12,15H,8-9,11H2,1-5H3;7-9,11,13H,5-6,10H2,1-4H3;2*5-6,11-12H,7-10H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;4-7,12H,8-11H2,1-2H3;3*4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine)?
1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine) has a molecular weight of 2345.05 g/mol, XLogP of 28.69, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine;1-(2,4-dimethylphenyl)-2-methyl-4-propan-2-ylpiperazine;4-(2,4-dimethylphenyl)-2-methyl-1-propan-2-ylpiperazine;bis(1-(2,4-dimethylphenyl)-4-propan-2-ylpiperazine);1-(3-fluoro-5-methylphenyl)-2-methyl-4-propan-2-ylpiperazine;1-(2-isocyanophenyl)-4-propan-2-ylpiperazine;tris(1-(4-methylphenyl)-4-propan-2-ylpiperazine) is sourced from PubChem (CID 160505773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).