4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline

C20H23FN2 — CID 782253

IUPAC4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2/c1-22(2)20-9-3-16(4-10-20)15-23-13-11-18(12-14-23)17-5-7-19(21)8-6-17/h3-11H,12-15H2,1-2H3
InChIKeyHABUIDXNHNAISV-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.18
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline

4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 782253) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID782253
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2/c1-22(2)20-9-3-16(4-10-20)15-23-13-11-18(12-14-23)17-5-7-19(21)8-6-17/h3-11H,12-15H2,1-2H3
InChIKeyHABUIDXNHNAISV-UHFFFAOYSA-N
XLogP4.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline (CID 782253) is 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is HABUIDXNHNAISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-22(2)20-9-3-16(4-10-20)15-23-13-11-18(12-14-23)17-5-7-19(21)8-6-17/h3-11H,12-15H2,1-2H3.
What are the key properties of 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline?
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 310.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 782253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).