(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol

C29H34ClNO3 — CID 26917919

About (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 26917919) has the molecular formula C29H34ClNO3 and a molecular weight of 480.05 g/mol. Its IUPAC name is (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
• PubChem CID: 26917919
• Molecular Formula: C29H34ClNO3
• Molecular Weight: 480.05 g/mol
• Exact Mass: 479.22
• IUPAC Name: (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
• SMILES: C[C@H](OC[C@H](O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
• InChI: InChI=1S/C29H34ClNO3/c1-22(23-12-14-27(30)15-13-23)34-21-28(32)20-31-18-16-26(17-19-31)29(33,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,26,28,32-33H,16-21H2,1H3/t22-,28+/m0/s1
• InChIKey: ICEYOUKMGLFQNF-RBISFHTESA-N
• XLogP: 5.43
• TPSA: 52.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.05
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?

The IUPAC name of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol (CID 26917919) is (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol is C[C@H](OC[C@H](O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1.

What is the InChIKey of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?

The InChIKey is ICEYOUKMGLFQNF-RBISFHTESA-N. The full InChI is InChI=1S/C29H34ClNO3/c1-22(23-12-14-27(30)15-13-23)34-21-28(32)20-31-18-16-26(17-19-31)29(33,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,26,28,32-33H,16-21H2,1H3/t22-,28+/m0/s1.

What are the key properties of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?

(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 480.05 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 26917919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).