1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol

C24H40N2O4 — CID 45211468

About 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol (PubChem CID 45211468) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
• PubChem CID: 45211468
• Molecular Formula: C24H40N2O4
• Molecular Weight: 420.59 g/mol
• Exact Mass: 420.30
• IUPAC Name: 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
• SMILES: COc1cc(CN2CCC(OC)CC2)ccc1OCC(O)CN(C)C1CCCCC1
• InChI: InChI=1S/C24H40N2O4/c1-25(20-7-5-4-6-8-20)17-21(27)18-30-23-10-9-19(15-24(23)29-3)16-26-13-11-22(28-2)12-14-26/h9-10,15,20-22,27H,4-8,11-14,16-18H2,1-3H3
• InChIKey: NIYOVWGDVQIZKQ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 54.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.59
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol?

The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol (CID 45211468) is 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol is COc1cc(CN2CCC(OC)CC2)ccc1OCC(O)CN(C)C1CCCCC1.

What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol?

The InChIKey is NIYOVWGDVQIZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4/c1-25(20-7-5-4-6-8-20)17-21(27)18-30-23-10-9-19(15-24(23)29-3)16-26-13-11-22(28-2)12-14-26/h9-10,15,20-22,27H,4-8,11-14,16-18H2,1-3H3.

What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol?

1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol has a molecular weight of 420.59 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45211468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).