1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine

C20H23FN2 — CID 29258609

IUPAC1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine
SMILESC=CCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C20H23FN2/c1-2-12-22-19-10-13-23(14-11-19)20-8-6-16(7-9-20)17-4-3-5-18(21)15-17/h2-9,15,19,22H,1,10-14H2
InChIKeyBWBZHXJXAKHFMI-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.24
Rot. Bonds5

About 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine

1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine (PubChem CID 29258609) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine
PubChem CID29258609
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine
SMILESC=CCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C20H23FN2/c1-2-12-22-19-10-13-23(14-11-19)20-8-6-16(7-9-20)17-4-3-5-18(21)15-17/h2-9,15,19,22H,1,10-14H2
InChIKeyBWBZHXJXAKHFMI-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine?
The IUPAC name of 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine (CID 29258609) is 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine?
The canonical SMILES for 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine is C=CCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1.
What is the InChIKey of 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine?
The InChIKey is BWBZHXJXAKHFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-2-12-22-19-10-13-23(14-11-19)20-8-6-16(7-9-20)17-4-3-5-18(21)15-17/h2-9,15,19,22H,1,10-14H2.
What are the key properties of 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine?
1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine has a molecular weight of 310.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 29258609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).