[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol

C30H35FN2O2 — CID 142014921

About [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol

[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol (PubChem CID 142014921) has the molecular formula C30H35FN2O2 and a molecular weight of 474.62 g/mol. Its IUPAC name is [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol.

Molecular Properties

• Compound Name: [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol
• PubChem CID: 142014921
• Molecular Formula: C30H35FN2O2
• Molecular Weight: 474.62 g/mol
• Exact Mass: 474.27
• IUPAC Name: [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol
• SMILES: C=CCO.O=C(c1cccc2ccccc12)N1CC[C@H](CN2CCC(c3ccc(F)cc3)CC2)C1
• InChI: InChI=1S/C27H29FN2O.C3H6O/c28-24-10-8-21(9-11-24)22-13-15-29(16-14-22)18-20-12-17-30(19-20)27(31)26-7-3-5-23-4-1-2-6-25(23)26;1-2-3-4/h1-11,20,22H,12-19H2;2,4H,1,3H2/t20-;/m1./s1
• InChIKey: ZBARYZCGWBCBBB-VEIFNGETSA-N
• XLogP: 5.49
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.62
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol?

The IUPAC name of [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol (CID 142014921) is [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol.

What is the SMILES notation for [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol?

The canonical SMILES for [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol is C=CCO.O=C(c1cccc2ccccc12)N1CC[C@H](CN2CCC(c3ccc(F)cc3)CC2)C1.

What is the InChIKey of [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol?

The InChIKey is ZBARYZCGWBCBBB-VEIFNGETSA-N. The full InChI is InChI=1S/C27H29FN2O.C3H6O/c28-24-10-8-21(9-11-24)22-13-15-29(16-14-22)18-20-12-17-30(19-20)27(31)26-7-3-5-23-4-1-2-6-25(23)26;1-2-3-4/h1-11,20,22H,12-19H2;2,4H,1,3H2/t20-;/m1./s1.

What are the key properties of [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol?

[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol has a molecular weight of 474.62 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol is sourced from PubChem (CID 142014921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).