N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine

C11H21F3N2 — CID 62592920

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)15-7-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyVVJNSWTXAUUIAS-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62592920) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID62592920
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)15-7-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyVVJNSWTXAUUIAS-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine (CID 62592920) is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is VVJNSWTXAUUIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(2)15-7-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-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-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62592920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).