(2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

C25H39NO2 — CID 98142661

About (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

(2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (PubChem CID 98142661) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
• PubChem CID: 98142661
• Molecular Formula: C25H39NO2
• Molecular Weight: 385.59 g/mol
• Exact Mass: 385.30
• IUPAC Name: (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
• SMILES: CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1
• InChI: InChI=1S/C25H39NO2/c1-24(2)21-9-12-25(3,16-21)23(24)28-18-22(27)17-26-13-10-20(11-14-26)15-19-7-5-4-6-8-19/h4-8,20-23,27H,9-18H2,1-3H3/t21-,22+,23+,25-/m0/s1
• InChIKey: RLOYQHMWSVMPSX-KBOSCXGNSA-N
• XLogP: 4.53
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.59
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (CID 98142661) is (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

What is the SMILES notation for (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The canonical SMILES for (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1.

What is the InChIKey of (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The InChIKey is RLOYQHMWSVMPSX-KBOSCXGNSA-N. The full InChI is InChI=1S/C25H39NO2/c1-24(2)21-9-12-25(3,16-21)23(24)28-18-22(27)17-26-13-10-20(11-14-26)15-19-7-5-4-6-8-19/h4-8,20-23,27H,9-18H2,1-3H3/t21-,22+,23+,25-/m0/s1.

What are the key properties of (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

(2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol has a molecular weight of 385.59 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is sourced from PubChem (CID 98142661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).