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

C12H23F3N2 — CID 83990301

IUPACN-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCNC1CC(CC(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C12H23F3N2/c1-4-16-11-5-10(6-12(13,14)15)7-17(8-11)9(2)3/h9-11,16H,4-8H2,1-3H3
InChIKeyJPEXYXDSOQOLGQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds4

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

N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83990301) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83990301
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCNC1CC(CC(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C12H23F3N2/c1-4-16-11-5-10(6-12(13,14)15)7-17(8-11)9(2)3/h9-11,16H,4-8H2,1-3H3
InChIKeyJPEXYXDSOQOLGQ-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990210
5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83990284
2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992214
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992203
1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83994299
1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83995888
N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994977
N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83989613
5-(cyclopropylmethyl)-N-(2-methylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83990301) is N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is CCNC1CC(CC(F)(F)F)CN(C(C)C)C1.
What is the InChIKey of N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is JPEXYXDSOQOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-4-16-11-5-10(6-12(13,14)15)7-17(8-11)9(2)3/h9-11,16H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83990301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).