N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H27F3N2 — CID 79353345

IUPACN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(C)C(CNC2CCN(CC(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C15H27F3N2/c1-13(2)12(14(13,3)4)9-19-11-5-7-20(8-6-11)10-15(16,17)18/h11-12,19H,5-10H2,1-4H3
InChIKeyVMLBVDAAMWCQRV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.28
Rot. Bonds4

About N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 79353345) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID79353345
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(C)C(CNC2CCN(CC(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C15H27F3N2/c1-13(2)12(14(13,3)4)9-19-11-5-7-20(8-6-11)10-15(16,17)18/h11-12,19H,5-10H2,1-4H3
InChIKeyVMLBVDAAMWCQRV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 79353345) is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC1(C)C(CNC2CCN(CC(F)(F)F)CC2)C1(C)C.
What is the InChIKey of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is VMLBVDAAMWCQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-13(2)12(14(13,3)4)9-19-11-5-7-20(8-6-11)10-15(16,17)18/h11-12,19H,5-10H2,1-4H3.
What are the key properties of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 79353345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).