[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate

C75H85N13O6 — CID 87882806

IUPAC[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate
SMILESCc1ccnc(CCc2ccc(OC(=O)N3CCN(CCc4ccccn4)CC3)cc2)c1.Cc1ccnc(CCc2ccc(OC(=O)N3CCN(Cc4ccccn4)CC3)cc2)c1.Cc1ccnc(CCc2ccc(OC(=O)N3CCN(Cc4ccncn4)CC3)cc2)c1
InChIInChI=1S/C26H30N4O2.C25H28N4O2.C24H27N5O2/c1-21-11-14-28-24(20-21)8-5-22-6-9-25(10-7-22)32-26(31)30-18-16-29(17-19-30)15-12-23-4-2-3-13-27-23;1-20-11-13-27-22(18-20)8-5-21-6-9-24(10-7-21)31-25(30)29-16-14-28(15-17-29)19-23-4-2-3-12-26-23;1-19-8-11-26-21(16-19)5-2-20-3-6-23(7-4-20)31-24(30)29-14-12-28(13-15-29)17-22-9-10-25-18-27-22/h2-4,6-7,9-11,13-14,20H,5,8,12,15-19H2,1H3;2-4,6-7,9-13,18H,5,8,14-17,19H2,1H3;3-4,6-11,16,18H,2,5,12-15,17H2,1H3
InChIKeyWGWMCFODLLEKJA-UHFFFAOYSA-N
MW1264.59 g/mol
LogP11.10
Rot. Bonds19

About [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate

[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate (PubChem CID 87882806) has the molecular formula C75H85N13O6 and a molecular weight of 1264.59 g/mol. Its IUPAC name is [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate
PubChem CID87882806
Molecular FormulaC75H85N13O6
Molecular Weight1264.59 g/mol
Exact Mass1263.67
IUPAC Name[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate
SMILESCc1ccnc(CCc2ccc(OC(=O)N3CCN(CCc4ccccn4)CC3)cc2)c1.Cc1ccnc(CCc2ccc(OC(=O)N3CCN(Cc4ccccn4)CC3)cc2)c1.Cc1ccnc(CCc2ccc(OC(=O)N3CCN(Cc4ccncn4)CC3)cc2)c1
InChIInChI=1S/C26H30N4O2.C25H28N4O2.C24H27N5O2/c1-21-11-14-28-24(20-21)8-5-22-6-9-25(10-7-22)32-26(31)30-18-16-29(17-19-30)15-12-23-4-2-3-13-27-23;1-20-11-13-27-22(18-20)8-5-21-6-9-24(10-7-21)31-25(30)29-16-14-28(15-17-29)19-23-4-2-3-12-26-23;1-19-8-11-26-21(16-19)5-2-20-3-6-23(7-4-20)31-24(30)29-14-12-28(13-15-29)17-22-9-10-25-18-27-22/h2-4,6-7,9-11,13-14,20H,5,8,12,15-19H2,1H3;2-4,6-7,9-13,18H,5,8,14-17,19H2,1H3;3-4,6-11,16,18H,2,5,12-15,17H2,1H3
InChIKeyWGWMCFODLLEKJA-UHFFFAOYSA-N
XLogP11.10
TPSA188.57 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001264.59
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate (CID 87882806) is [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate is Cc1ccnc(CCc2ccc(OC(=O)N3CCN(CCc4ccccn4)CC3)cc2)c1.Cc1ccnc(CCc2ccc(OC(=O)N3CCN(Cc4ccccn4)CC3)cc2)c1.Cc1ccnc(CCc2ccc(OC(=O)N3CCN(Cc4ccncn4)CC3)cc2)c1.
What is the InChIKey of [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate?
The InChIKey is WGWMCFODLLEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C25H28N4O2.C24H27N5O2/c1-21-11-14-28-24(20-21)8-5-22-6-9-25(10-7-22)32-26(31)30-18-16-29(17-19-30)15-12-23-4-2-3-13-27-23;1-20-11-13-27-22(18-20)8-5-21-6-9-24(10-7-21)31-25(30)29-16-14-28(15-17-29)19-23-4-2-3-12-26-23;1-19-8-11-26-21(16-19)5-2-20-3-6-23(7-4-20)31-24(30)29-14-12-28(13-15-29)17-22-9-10-25-18-27-22/h2-4,6-7,9-11,13-14,20H,5,8,12,15-19H2,1H3;2-4,6-7,9-13,18H,5,8,14-17,19H2,1H3;3-4,6-11,16,18H,2,5,12-15,17H2,1H3.
What are the key properties of [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate?
[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate has a molecular weight of 1264.59 g/mol, XLogP of 11.10, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(2-pyridin-2-ylethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate;[4-[2-(4-methyl-2-pyridinyl)ethyl]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 87882806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).