N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine

C12H24F3N3 — CID 62554395

IUPACN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
SMILESCN(C)CC1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-17(2)9-11-3-6-18(7-4-11)8-5-16-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyBJRYZGHMFGVBDT-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.41
Rot. Bonds6

About N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine

N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62554395) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
PubChem CID62554395
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
SMILESCN(C)CC1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-17(2)9-11-3-6-18(7-4-11)8-5-16-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyBJRYZGHMFGVBDT-UHFFFAOYSA-N
XLogP1.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62557757
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62559376
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62554063
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
CID 62554564
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62554392
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62553735
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958133

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine (CID 62554395) is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine is CN(C)CC1CCN(CCNCC(F)(F)F)CC1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is BJRYZGHMFGVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-17(2)9-11-3-6-18(7-4-11)8-5-16-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine?
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 267.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62554395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).