3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine

C17H25F3N2O — CID 11632024

IUPAC3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCCCC1CN(c2cc(OC)cc(C(F)(F)F)c2)CCC1N
InChIInChI=1S/C17H25F3N2O/c1-3-4-5-12-11-22(7-6-16(12)21)14-8-13(17(18,19)20)9-15(10-14)23-2/h8-10,12,16H,3-7,11,21H2,1-2H3
InChIKeyPREGFYVMCPMPHS-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.06
Rot. Bonds5

About 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine

3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 11632024) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID11632024
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCCCC1CN(c2cc(OC)cc(C(F)(F)F)c2)CCC1N
InChIInChI=1S/C17H25F3N2O/c1-3-4-5-12-11-22(7-6-16(12)21)14-8-13(17(18,19)20)9-15(10-14)23-2/h8-10,12,16H,3-7,11,21H2,1-2H3
InChIKeyPREGFYVMCPMPHS-UHFFFAOYSA-N
XLogP4.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine (CID 11632024) is 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine is CCCCC1CN(c2cc(OC)cc(C(F)(F)F)c2)CCC1N.
What is the InChIKey of 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is PREGFYVMCPMPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-3-4-5-12-11-22(7-6-16(12)21)14-8-13(17(18,19)20)9-15(10-14)23-2/h8-10,12,16H,3-7,11,21H2,1-2H3.
What are the key properties of 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 11632024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).