N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine

C15H21F3N2O — CID 60942486

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H21F3N2O/c1-9-8-20(3)10(2)6-13(9)19-11-4-5-14(12(16)7-11)21-15(17)18/h4-5,7,9-10,13,15,19H,6,8H2,1-3H3
InChIKeyCDTNHFUGLYHNFW-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.57
Rot. Bonds4

About N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine

N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 60942486) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID60942486
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H21F3N2O/c1-9-8-20(3)10(2)6-13(9)19-11-4-5-14(12(16)7-11)21-15(17)18/h4-5,7,9-10,13,15,19H,6,8H2,1-3H3
InChIKeyCDTNHFUGLYHNFW-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 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 ≤ 53.57
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 N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine (CID 60942486) is N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is CDTNHFUGLYHNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-9-8-20(3)10(2)6-13(9)19-11-4-5-14(12(16)7-11)21-15(17)18/h4-5,7,9-10,13,15,19H,6,8H2,1-3H3.
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine?
N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 60942486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).