N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H25F3N2O — CID 83033630

IUPACN-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(C)CC(NC2CCN(CC(F)(F)F)CC2)CCO1
InChIInChI=1S/C14H25F3N2O/c1-13(2)9-12(5-8-20-13)18-11-3-6-19(7-4-11)10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyBKSGHXVQHXZJKY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 83033630) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID83033630
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(C)CC(NC2CCN(CC(F)(F)F)CC2)CCO1
InChIInChI=1S/C14H25F3N2O/c1-13(2)9-12(5-8-20-13)18-11-3-6-19(7-4-11)10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyBKSGHXVQHXZJKY-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 83033630) is N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC1(C)CC(NC2CCN(CC(F)(F)F)CC2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is BKSGHXVQHXZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-13(2)9-12(5-8-20-13)18-11-3-6-19(7-4-11)10-14(15,16)17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 83033630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).