3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine

C23H29FN2 — CID 138722009

IUPAC3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine
SMILESC=C(NCCCc1ccc(-c2ccccc2F)cc1)C1CCN(C)CC1
InChIInChI=1S/C23H29FN2/c1-18(20-13-16-26(2)17-14-20)25-15-5-6-19-9-11-21(12-10-19)22-7-3-4-8-23(22)24/h3-4,7-12,20,25H,1,5-6,13-17H2,2H3
InChIKeyOTCMXCWGJXWLKX-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.87
Rot. Bonds7

About 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine

3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine (PubChem CID 138722009) has the molecular formula C23H29FN2 and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine
PubChem CID138722009
Molecular FormulaC23H29FN2
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine
SMILESC=C(NCCCc1ccc(-c2ccccc2F)cc1)C1CCN(C)CC1
InChIInChI=1S/C23H29FN2/c1-18(20-13-16-26(2)17-14-20)25-15-5-6-19-9-11-21(12-10-19)22-7-3-4-8-23(22)24/h3-4,7-12,20,25H,1,5-6,13-17H2,2H3
InChIKeyOTCMXCWGJXWLKX-UHFFFAOYSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine?
The IUPAC name of 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine (CID 138722009) is 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine?
The canonical SMILES for 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine is C=C(NCCCc1ccc(-c2ccccc2F)cc1)C1CCN(C)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine?
The InChIKey is OTCMXCWGJXWLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2/c1-18(20-13-16-26(2)17-14-20)25-15-5-6-19-9-11-21(12-10-19)22-7-3-4-8-23(22)24/h3-4,7-12,20,25H,1,5-6,13-17H2,2H3.
What are the key properties of 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine?
3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine has a molecular weight of 352.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine is sourced from PubChem (CID 138722009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).