[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone

C29H32FN3O2 — CID 146418748

IUPAC[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone
SMILESCN(C)CCCOc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1F
InChIInChI=1S/C29H32FN3O2/c1-31(2)14-7-19-35-27-13-12-21(20-26(27)30)29(34)33-17-15-32(16-18-33)28-24-10-5-3-8-22(24)23-9-4-6-11-25(23)28/h3-6,8-13,20,28H,7,14-19H2,1-2H3
InChIKeyUJJHBXRDEKRMHF-UHFFFAOYSA-N
MW473.59 g/mol
LogP4.68
Rot. Bonds7

About [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone

[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone (PubChem CID 146418748) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone
PubChem CID146418748
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone
SMILESCN(C)CCCOc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1F
InChIInChI=1S/C29H32FN3O2/c1-31(2)14-7-19-35-27-13-12-21(20-26(27)30)29(34)33-17-15-32(16-18-33)28-24-10-5-3-8-22(24)23-9-4-6-11-25(23)28/h3-6,8-13,20,28H,7,14-19H2,1-2H3
InChIKeyUJJHBXRDEKRMHF-UHFFFAOYSA-N
XLogP4.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone (CID 146418748) is [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone is CN(C)CCCOc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1F.
What is the InChIKey of [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone?
The InChIKey is UJJHBXRDEKRMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-31(2)14-7-19-35-27-13-12-21(20-26(27)30)29(34)33-17-15-32(16-18-33)28-24-10-5-3-8-22(24)23-9-4-6-11-25(23)28/h3-6,8-13,20,28H,7,14-19H2,1-2H3.
What are the key properties of [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone?
[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone has a molecular weight of 473.59 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 146418748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).