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

C11H21F3N2 — CID 83990210

IUPACN,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCNC1CC(CC(F)(F)F)CN(CC)C1
InChIInChI=1S/C11H21F3N2/c1-3-15-10-5-9(6-11(12,13)14)7-16(4-2)8-10/h9-10,15H,3-8H2,1-2H3
InChIKeyCZIOFZLWNVNRGB-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds4

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

N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83990210) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound NameN,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83990210
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCNC1CC(CC(F)(F)F)CN(CC)C1
InChIInChI=1S/C11H21F3N2/c1-3-15-10-5-9(6-11(12,13)14)7-16(4-2)8-10/h9-10,15H,3-8H2,1-2H3
InChIKeyCZIOFZLWNVNRGB-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83998347
N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990301
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83989613
3-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990202
N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83996991
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205
N,5-bis(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83996251

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83990210) is N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is CCNC1CC(CC(F)(F)F)CN(CC)C1.
What is the InChIKey of N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is CZIOFZLWNVNRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-15-10-5-9(6-11(12,13)14)7-16(4-2)8-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83990210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).