(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol

C23H31ClN2O2 — CID 2133676

About (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol

(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol (PubChem CID 2133676) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
• PubChem CID: 2133676
• Molecular Formula: C23H31ClN2O2
• Molecular Weight: 402.97 g/mol
• Exact Mass: 402.21
• IUPAC Name: (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
• SMILES: Cc1cc(C)c(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1
• InChI: InChI=1S/C23H31ClN2O2/c1-17-12-18(2)23(19(3)13-17)28-16-22(27)15-26-10-8-25(9-11-26)14-20-4-6-21(24)7-5-20/h4-7,12-13,22,27H,8-11,14-16H2,1-3H3/t22-/m1/s1
• InChIKey: WATBMCYKLYEPJB-JOCHJYFZSA-N
• XLogP: 3.82
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.97
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol?

The IUPAC name of (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol (CID 2133676) is (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol.

What is the SMILES notation for (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol?

The canonical SMILES for (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol is Cc1cc(C)c(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1.

What is the InChIKey of (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol?

The InChIKey is WATBMCYKLYEPJB-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31ClN2O2/c1-17-12-18(2)23(19(3)13-17)28-16-22(27)15-26-10-8-25(9-11-26)14-20-4-6-21(24)7-5-20/h4-7,12-13,22,27H,8-11,14-16H2,1-3H3/t22-/m1/s1.

What are the key properties of (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol?

(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol has a molecular weight of 402.97 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 2133676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).