1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C13H25F3N2 — CID 83992169

IUPAC1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCCN1CC(CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-3-5-6-18-8-11(4-2)7-12(9-18)17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyDUVWSTYHIBKCQR-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds6

About 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992169) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992169
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCCN1CC(CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-3-5-6-18-8-11(4-2)7-12(9-18)17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyDUVWSTYHIBKCQR-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
1-(cyclopropylmethyl)-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992525
5-ethyl-1-(3-methylcyclobutyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992503
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992307
methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
CID 83994946
N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
CID 83992738
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83989613
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992442
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992169) is 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CCCCN1CC(CC)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is DUVWSTYHIBKCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-5-6-18-8-11(4-2)7-12(9-18)17-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).