1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine

C15H21F3N2O — CID 83137981

IUPAC1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
SMILESCc1cc(OCCC(F)(F)F)ccc1N1CCC(N)CC1
InChIInChI=1S/C15H21F3N2O/c1-11-10-13(21-9-6-15(16,17)18)2-3-14(11)20-7-4-12(19)5-8-20/h2-3,10,12H,4-9,19H2,1H3
InChIKeyDHVQJSXXELUBDM-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine

1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine (PubChem CID 83137981) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
PubChem CID83137981
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
SMILESCc1cc(OCCC(F)(F)F)ccc1N1CCC(N)CC1
InChIInChI=1S/C15H21F3N2O/c1-11-10-13(21-9-6-15(16,17)18)2-3-14(11)20-7-4-12(19)5-8-20/h2-3,10,12H,4-9,19H2,1H3
InChIKeyDHVQJSXXELUBDM-UHFFFAOYSA-N
XLogP3.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine (CID 83137981) is 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine is Cc1cc(OCCC(F)(F)F)ccc1N1CCC(N)CC1.
What is the InChIKey of 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
The InChIKey is DHVQJSXXELUBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-10-13(21-9-6-15(16,17)18)2-3-14(11)20-7-4-12(19)5-8-20/h2-3,10,12H,4-9,19H2,1H3.
What are the key properties of 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 83137981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).