(3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol

C22H30N4O2 — CID 56709992

About (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol

(3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol (PubChem CID 56709992) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol.

Molecular Properties

• Compound Name: (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
• PubChem CID: 56709992
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
• SMILES: C/C(=C\c1ccco1)CN1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1
• InChI: InChI=1S/C22H30N4O2/c1-18(15-19-5-4-14-28-19)16-24-9-7-20(21(27)17-24)25-10-12-26(13-11-25)22-6-2-3-8-23-22/h2-6,8,14-15,20-21,27H,7,9-13,16-17H2,1H3/b18-15+/t20-,21-/m1/s1
• InChIKey: VNXNOJVRGXLTTM-MVGYQYFGSA-N
• XLogP: 2.34
• TPSA: 55.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol?

The IUPAC name of (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol (CID 56709992) is (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol.

What is the SMILES notation for (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol?

The canonical SMILES for (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol is C/C(=C\c1ccco1)CN1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1.

What is the InChIKey of (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol?

The InChIKey is VNXNOJVRGXLTTM-MVGYQYFGSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18(15-19-5-4-14-28-19)16-24-9-7-20(21(27)17-24)25-10-12-26(13-11-25)22-6-2-3-8-23-22/h2-6,8,14-15,20-21,27H,7,9-13,16-17H2,1H3/b18-15+/t20-,21-/m1/s1.

What are the key properties of (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol?

(3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol has a molecular weight of 382.51 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol is sourced from PubChem (CID 56709992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).