N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine

C20H24F3N3 — CID 139211040

IUPACN-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC2CCN(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C20H24F3N3/c21-20(22,23)18-9-4-10-19(25-18)24-17-11-14-26(15-12-17)13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17H,5,8,11-15H2,(H,24,25)
InChIKeyQDJBTRNXOMXDMX-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.61
Rot. Bonds6

About N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine

N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 139211040) has the molecular formula C20H24F3N3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID139211040
Molecular FormulaC20H24F3N3
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC NameN-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC2CCN(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C20H24F3N3/c21-20(22,23)18-9-4-10-19(25-18)24-17-11-14-26(15-12-17)13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17H,5,8,11-15H2,(H,24,25)
InChIKeyQDJBTRNXOMXDMX-UHFFFAOYSA-N
XLogP4.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine (CID 139211040) is N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NC2CCN(CCCc3ccccc3)CC2)n1.
What is the InChIKey of N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QDJBTRNXOMXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3/c21-20(22,23)18-9-4-10-19(25-18)24-17-11-14-26(15-12-17)13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17H,5,8,11-15H2,(H,24,25).
What are the key properties of N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine?
N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 363.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropyl)piperidin-4-yl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 139211040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).