[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine

C10H19F3N2 — CID 82391830

IUPAC[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
SMILESCC[C@@H]1[C@@H](CN)CCCN1CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-2-9-8(6-14)4-3-5-15(9)7-10(11,12)13/h8-9H,2-7,14H2,1H3/t8-,9-/m1/s1
InChIKeyCKHDQYOAMPQJPV-RKDXNWHRSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds3

About [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine

[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine (PubChem CID 82391830) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
PubChem CID82391830
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
SMILESCC[C@@H]1[C@@H](CN)CCCN1CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-2-9-8(6-14)4-3-5-15(9)7-10(11,12)13/h8-9H,2-7,14H2,1H3/t8-,9-/m1/s1
InChIKeyCKHDQYOAMPQJPV-RKDXNWHRSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
CID 96612828
[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
CID 43187045
[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 82736146
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 152872015
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
CID 77036256
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
CID 107912600
(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
2-[1-(2,2-difluoropropyl)pyrrolidin-2-yl]ethanamine
CID 84664108
(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine (CID 82391830) is [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine is CC[C@@H]1[C@@H](CN)CCCN1CC(F)(F)F.
What is the InChIKey of [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
The InChIKey is CKHDQYOAMPQJPV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-9-8(6-14)4-3-5-15(9)7-10(11,12)13/h8-9H,2-7,14H2,1H3/t8-,9-/m1/s1.
What are the key properties of [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 82391830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).