1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol

C₁₉H₂₁N₃O — CID 156898163

About 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol

1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol (PubChem CID 156898163) has the molecular formula C₁₉H₂₁N₃O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol.

Molecular Properties

• Compound Name: 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
• PubChem CID: 156898163
• Molecular Formula: C₁₉H₂₁N₃O
• Molecular Weight: 307.40 g/mol
• Exact Mass: 307.17
• IUPAC Name: 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
• SMILES: OC1(c2ccncc2)CCN(Cc2cc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C19H21N3O/c23-19(16-5-9-20-10-6-16)7-11-22(12-8-19)14-17-13-15-3-1-2-4-18(15)21-17/h1-6,9-10,13,21,23H,7-8,11-12,14H2
• InChIKey: CRWYBCBYGDFTGL-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 52.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.40
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?

The IUPAC name of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol (CID 156898163) is 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol.

What is the SMILES notation for 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?

The canonical SMILES for 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol is OC1(c2ccncc2)CCN(Cc2cc3ccccc3[nH]2)CC1.

What is the InChIKey of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?

The InChIKey is CRWYBCBYGDFTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(16-5-9-20-10-6-16)7-11-22(12-8-19)14-17-13-15-3-1-2-4-18(15)21-17/h1-6,9-10,13,21,23H,7-8,11-12,14H2.

What are the key properties of 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol?

1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol has a molecular weight of 307.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol is sourced from PubChem (CID 156898163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156898163 — identifiers, structure, computed properties (public domain)

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