[3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

C23H29FN2O2 — CID 53150633

IUPAC[3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H29FN2O2/c1-25(2)22-8-4-6-20(16-22)23(27)26-12-9-18(10-13-26)11-14-28-17-19-5-3-7-21(24)15-19/h3-8,15-16,18H,9-14,17H2,1-2H3
InChIKeyTUOBEKGOJYQHLC-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.35
Rot. Bonds7

About [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53150633) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53150633
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name[3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H29FN2O2/c1-25(2)22-8-4-6-20(16-22)23(27)26-12-9-18(10-13-26)11-14-28-17-19-5-3-7-21(24)15-19/h3-8,15-16,18H,9-14,17H2,1-2H3
InChIKeyTUOBEKGOJYQHLC-UHFFFAOYSA-N
XLogP4.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53150633) is [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC(CCOCc3cccc(F)c3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is TUOBEKGOJYQHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-25(2)22-8-4-6-20(16-22)23(27)26-12-9-18(10-13-26)11-14-28-17-19-5-3-7-21(24)15-19/h3-8,15-16,18H,9-14,17H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 384.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).