N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H23F3N2O — CID 103914589

IUPACN-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=CCCOCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-9-19-10-6-17-12-4-7-18(8-5-12)11-13(14,15)16/h2,12,17H,1,3-11H2
InChIKeyNQHCPTSENYFPPC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103914589) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103914589
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=CCCOCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-9-19-10-6-17-12-4-7-18(8-5-12)11-13(14,15)16/h2,12,17H,1,3-11H2
InChIKeyNQHCPTSENYFPPC-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
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
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103082726
N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine
CID 104925240
3-Morpholin-4-yloct-7-en-1-amine
CID 70245026
N-(3-morpholin-4-ylpropyl)hept-1-en-4-amine
CID 4712416
N-(2-but-3-enoxyethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103904959
N-(2-but-3-enoxyethyl)-1,2-dimethylpiperidin-4-amine
CID 103905016
N-(2-but-3-enoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914587
N-(2-but-3-enoxyethyl)-1-propylpiperidin-4-amine
CID 103914588
N-(2-but-3-enoxyethyl)-1-propan-2-ylpiperidin-4-amine
CID 104081768
N-(3-morpholin-4-ylpropyl)hex-5-en-2-amine
CID 104581359
N-(2-but-3-enoxyethyl)piperidin-4-amine
CID 106397170

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103914589) is N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C=CCCOCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is NQHCPTSENYFPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-3-9-19-10-6-17-12-4-7-18(8-5-12)11-13(14,15)16/h2,12,17H,1,3-11H2.
What are the key properties of N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103914589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).