N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine

C12H23F3N2 — CID 63854116

IUPACN-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-6-16-10(2)11-5-4-7-17(8-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyBXINTYCHOYCODX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 63854116) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
PubChem CID63854116
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-6-16-10(2)11-5-4-7-17(8-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyBXINTYCHOYCODX-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63852717
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
CID 63855346
N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63853944
N-(2-cyclohexylethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 54931824
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
1-cyclohexyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60856486

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine (CID 63854116) is N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is BXINTYCHOYCODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-6-16-10(2)11-5-4-7-17(8-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63854116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).