N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

C14H26F2N2O — CID 103082726

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C14H26F2N2O/c1-12(2)3-7-18-8-4-13(5-9-18)17-6-10-19-11-14(15)16/h3,13-14,17H,4-11H2,1-2H3
InChIKeyLNXPDTKBACILOW-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.29
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 103082726) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID103082726
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C14H26F2N2O/c1-12(2)3-7-18-8-4-13(5-9-18)17-6-10-19-11-14(15)16/h3,13-14,17H,4-11H2,1-2H3
InChIKeyLNXPDTKBACILOW-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethoxy)piperidin-4-amine
CID 82711569
1,1,1-Trifluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 103778667
1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 103779211
1,1-Difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 103787959
N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914589
N-[2-(2-methylpropoxy)ethyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106458455
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 113773160
N-[2-(2-methylpropoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115713640
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901493
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 103082726) is N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NCCOCC(F)F)CC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is LNXPDTKBACILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-12(2)3-7-18-8-4-13(5-9-18)17-6-10-19-11-14(15)16/h3,13-14,17H,4-11H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 276.37 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 103082726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).