1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine

C15H21F3N2O — CID 161489790

IUPAC1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OC2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(19)6-11-7-12(15(16,17)18)9-14(8-11)21-13-2-4-20-5-3-13/h7-10,13,20H,2-6,19H2,1H3
InChIKeyWFLMJASFYJNTDK-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.73
Rot. Bonds4

About 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine

1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 161489790) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID161489790
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OC2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(19)6-11-7-12(15(16,17)18)9-14(8-11)21-13-2-4-20-5-3-13/h7-10,13,20H,2-6,19H2,1H3
InChIKeyWFLMJASFYJNTDK-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine (CID 161489790) is 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine is CC(N)Cc1cc(OC2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is WFLMJASFYJNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(19)6-11-7-12(15(16,17)18)9-14(8-11)21-13-2-4-20-5-3-13/h7-10,13,20H,2-6,19H2,1H3.
What are the key properties of 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine?
1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 161489790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).