(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol

C24H41N2O3+ — CID 7087756

About (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol

(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol (PubChem CID 7087756) has the molecular formula C24H41N2O3+ and a molecular weight of 405.60 g/mol. Its IUPAC name is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
• PubChem CID: 7087756
• Molecular Formula: C24H41N2O3+
• Molecular Weight: 405.60 g/mol
• Exact Mass: 405.31
• IUPAC Name: (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
• SMILES: COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1
• InChI: InChI=1S/C24H40N2O3/c1-18(2)21-10-9-19(3)15-24(21)29-17-20(27)16-25-11-13-26(14-12-25)22-7-5-6-8-23(22)28-4/h5-8,18-21,24,27H,9-17H2,1-4H3/p+1/t19-,20-,21-,24-/m1/s1
• InChIKey: NCPYNQDHIIBZIX-GECPAALWSA-O
• XLogP: 2.24
• TPSA: 46.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.60
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

The IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol (CID 7087756) is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol.

What is the SMILES notation for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

The canonical SMILES for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol is COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1.

What is the InChIKey of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

The InChIKey is NCPYNQDHIIBZIX-GECPAALWSA-O. The full InChI is InChI=1S/C24H40N2O3/c1-18(2)21-10-9-19(3)15-24(21)29-17-20(27)16-25-11-13-26(14-12-25)22-7-5-6-8-23(22)28-4/h5-8,18-21,24,27H,9-17H2,1-4H3/p+1/t19-,20-,21-,24-/m1/s1.

What are the key properties of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol has a molecular weight of 405.60 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol is sourced from PubChem (CID 7087756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).