(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

C₂₃H₃₅N₃O₃ — CID 118290765

About (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 118290765) has the molecular formula C₂₃H₃₅N₃O₃ and a molecular weight of 401.55 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 118290765
• Molecular Formula: C₂₃H₃₅N₃O₃
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.27
• IUPAC Name: (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
• SMILES: COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)N2CCC(O)CC2)CC1
• InChI: InChI=1S/C23H35N3O3/c1-29-17-23(16-24-21-15-20(21)18-5-3-2-4-6-18)9-13-26(14-10-23)22(28)25-11-7-19(27)8-12-25/h2-6,19-21,24,27H,7-17H2,1H3/t20-,21+/m0/s1
• InChIKey: QIQCCTGHPWVZSM-LEWJYISDSA-N
• XLogP: 2.44
• TPSA: 65.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?

The IUPAC name of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (CID 118290765) is (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?

The canonical SMILES for (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)N2CCC(O)CC2)CC1.

What is the InChIKey of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?

The InChIKey is QIQCCTGHPWVZSM-LEWJYISDSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-29-17-23(16-24-21-15-20(21)18-5-3-2-4-6-18)9-13-26(14-10-23)22(28)25-11-7-19(27)8-12-25/h2-6,19-21,24,27H,7-17H2,1H3/t20-,21+/m0/s1.

What are the key properties of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?

(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 401.55 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118290765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118290765 — identifiers, structure, computed properties (public domain)

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