N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine

C11H21F3N2 — CID 115514896

IUPACN-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
SMILESCCN(CCCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H21F3N2/c1-2-16(8-4-6-11(12,13)14)10-5-3-7-15-9-10/h10,15H,2-9H2,1H3
InChIKeyIDMWSHDMMVIHEI-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds5

About N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine

N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine (PubChem CID 115514896) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
PubChem CID115514896
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
SMILESCCN(CCCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H21F3N2/c1-2-16(8-4-6-11(12,13)14)10-5-3-7-15-9-10/h10,15H,2-9H2,1H3
InChIKeyIDMWSHDMMVIHEI-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine
CID 115514933
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
N-ethyl-N-(2-propoxyethyl)piperidin-3-amine
CID 106455012
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
CID 114496458
1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 114496456
N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The IUPAC name of N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine (CID 115514896) is N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine is CCN(CCCC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The InChIKey is IDMWSHDMMVIHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-16(8-4-6-11(12,13)14)10-5-3-7-15-9-10/h10,15H,2-9H2,1H3.
What are the key properties of N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine is sourced from PubChem (CID 115514896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).