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

C14H25F3N2O — CID 103914507

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(CNC2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H25F3N2O/c1-13(4-8-20-9-5-13)10-18-12-2-6-19(7-3-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyKNZVSKQXTJNLBV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds4

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

N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103914507) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103914507
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(CNC2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H25F3N2O/c1-13(4-8-20-9-5-13)10-18-12-2-6-19(7-3-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyKNZVSKQXTJNLBV-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103914507) is N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC1(CNC2CCN(CC(F)(F)F)CC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is KNZVSKQXTJNLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-13(4-8-20-9-5-13)10-18-12-2-6-19(7-3-12)11-14(15,16)17/h12,18H,2-11H2,1H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103914507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).