N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine

C12H23F3N2 — CID 62573860

IUPACN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-10(2)16-6-8-17-7-4-5-11(9-17)12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyFNUSEMQXTBICNO-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine

N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine (PubChem CID 62573860) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
PubChem CID62573860
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-10(2)16-6-8-17-7-4-5-11(9-17)12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyFNUSEMQXTBICNO-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

1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine
CID 62573499
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine
CID 62574239
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
CID 62574425
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
CID 62574960
N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
CID 62559487
N-ethyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine
CID 79565865
(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 153197476

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine (CID 62573860) is N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine is CCC(C)NCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine?
The InChIKey is FNUSEMQXTBICNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-10(2)16-6-8-17-7-4-5-11(9-17)12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine?
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-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-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine is sourced from PubChem (CID 62573860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).