N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine

C15H21F3N2O — CID 60942481

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-10(2)20-7-5-11(6-8-20)19-12-3-4-14(13(16)9-12)21-15(17)18/h3-4,9-11,15,19H,5-8H2,1-2H3
InChIKeyQMSWDSFILABTHE-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.71
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine

N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 60942481) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID60942481
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-10(2)20-7-5-11(6-8-20)19-12-3-4-14(13(16)9-12)21-15(17)18/h3-4,9-11,15,19H,5-8H2,1-2H3
InChIKeyQMSWDSFILABTHE-UHFFFAOYSA-N
XLogP3.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.71
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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Related Compounds

N-(4-bromo-3-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 65432364
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658612
N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43719255
4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233
N-(4-bromo-3-iodophenyl)-1-propan-2-ylpiperidin-4-amine
CID 114259571
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415
N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine
CID 60942486
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine (CID 60942481) is N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2ccc(OC(F)F)c(F)c2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is QMSWDSFILABTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)20-7-5-11(6-8-20)19-12-3-4-14(13(16)9-12)21-15(17)18/h3-4,9-11,15,19H,5-8H2,1-2H3.
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine?
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.71, 5 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-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 60942481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).