1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine

C72H110ClF3N10O2 — CID 159576190

IUPAC1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine
SMILESCC(C)c1cc(F)c(N2CCN(C)CC2)c(F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(N2CCN(C)CC2)cc1F.COc1cc(C(C)C)ccc1N1CCN(C)CC1.COc1cc(N2CCN(C)CC2)ccc1C(C)C
InChIInChI=1S/2C15H24N2O.C14H21ClN2.C14H20F2N2.C14H21FN2/c1-12(2)14-6-5-13(11-15(14)18-4)17-9-7-16(3)8-10-17;1-12(2)13-5-6-14(15(11-13)18-4)17-9-7-16(3)8-10-17;1-11(2)12-4-5-14(13(15)10-12)17-8-6-16(3)7-9-17;1-10(2)11-8-12(15)14(13(16)9-11)18-6-4-17(3)5-7-18;1-11(2)13-5-4-12(10-14(13)15)17-8-6-16(3)7-9-17/h2*5-6,11-12H,7-10H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;8-10H,4-7H2,1-3H3;4-5,10-11H,6-9H2,1-3H3
InChIKeyMIKZGRLSBAMMPU-UHFFFAOYSA-N
MW1240.19 g/mol
LogP13.90
Rot. Bonds12

About 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine

1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine (PubChem CID 159576190) has the molecular formula C72H110ClF3N10O2 and a molecular weight of 1240.19 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine
PubChem CID159576190
Molecular FormulaC72H110ClF3N10O2
Molecular Weight1240.19 g/mol
Exact Mass1238.85
IUPAC Name1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine
SMILESCC(C)c1cc(F)c(N2CCN(C)CC2)c(F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(N2CCN(C)CC2)cc1F.COc1cc(C(C)C)ccc1N1CCN(C)CC1.COc1cc(N2CCN(C)CC2)ccc1C(C)C
InChIInChI=1S/2C15H24N2O.C14H21ClN2.C14H20F2N2.C14H21FN2/c1-12(2)14-6-5-13(11-15(14)18-4)17-9-7-16(3)8-10-17;1-12(2)13-5-6-14(15(11-13)18-4)17-9-7-16(3)8-10-17;1-11(2)12-4-5-14(13(15)10-12)17-8-6-16(3)7-9-17;1-10(2)11-8-12(15)14(13(16)9-11)18-6-4-17(3)5-7-18;1-11(2)13-5-4-12(10-14(13)15)17-8-6-16(3)7-9-17/h2*5-6,11-12H,7-10H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;8-10H,4-7H2,1-3H3;4-5,10-11H,6-9H2,1-3H3
InChIKeyMIKZGRLSBAMMPU-UHFFFAOYSA-N
XLogP13.90
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001240.19
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine (CID 159576190) is 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine is CC(C)c1cc(F)c(N2CCN(C)CC2)c(F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(Cl)c1.CC(C)c1ccc(N2CCN(C)CC2)cc1F.COc1cc(C(C)C)ccc1N1CCN(C)CC1.COc1cc(N2CCN(C)CC2)ccc1C(C)C.
What is the InChIKey of 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine?
The InChIKey is MIKZGRLSBAMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24N2O.C14H21ClN2.C14H20F2N2.C14H21FN2/c1-12(2)14-6-5-13(11-15(14)18-4)17-9-7-16(3)8-10-17;1-12(2)13-5-6-14(15(11-13)18-4)17-9-7-16(3)8-10-17;1-11(2)12-4-5-14(13(15)10-12)17-8-6-16(3)7-9-17;1-10(2)11-8-12(15)14(13(16)9-11)18-6-4-17(3)5-7-18;1-11(2)13-5-4-12(10-14(13)15)17-8-6-16(3)7-9-17/h2*5-6,11-12H,7-10H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;8-10H,4-7H2,1-3H3;4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine?
1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine has a molecular weight of 1240.19 g/mol, XLogP of 13.90, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-(3-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine is sourced from PubChem (CID 159576190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).