1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine

C15H20F4N2 — CID 63035987

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C15H20F4N2/c1-2-7-20-12-5-8-21(9-6-12)14-10-11(15(17,18)19)3-4-13(14)16/h3-4,10,12,20H,2,5-9H2,1H3
InChIKeyHPRKIMLJCZMXHO-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.81
Rot. Bonds4

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine

1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine (PubChem CID 63035987) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
PubChem CID63035987
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C15H20F4N2/c1-2-7-20-12-5-8-21(9-6-12)14-10-11(15(17,18)19)3-4-13(14)16/h3-4,10,12,20H,2,5-9H2,1H3
InChIKeyHPRKIMLJCZMXHO-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine (CID 63035987) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine is CCCNC1CCN(c2cc(C(F)(F)F)ccc2F)CC1.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The InChIKey is HPRKIMLJCZMXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-2-7-20-12-5-8-21(9-6-12)14-10-11(15(17,18)19)3-4-13(14)16/h3-4,10,12,20H,2,5-9H2,1H3.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine has a molecular weight of 304.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 63035987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).