N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine

C14H27FN2O — CID 166157685

IUPACN-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine
SMILESCC(C)(C)NC1CCN(C2CCOCC2F)CC1
InChIInChI=1S/C14H27FN2O/c1-14(2,3)16-11-4-7-17(8-5-11)13-6-9-18-10-12(13)15/h11-13,16H,4-10H2,1-3H3
InChIKeyPPGDYFIPAXVYHU-UHFFFAOYSA-N
MW258.38 g/mol
LogP1.97
Rot. Bonds2

About N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine

N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine (PubChem CID 166157685) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine
PubChem CID166157685
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC NameN-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine
SMILESCC(C)(C)NC1CCN(C2CCOCC2F)CC1
InChIInChI=1S/C14H27FN2O/c1-14(2,3)16-11-4-7-17(8-5-11)13-6-9-18-10-12(13)15/h11-13,16H,4-10H2,1-3H3
InChIKeyPPGDYFIPAXVYHU-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-1-(3-fluorooxan-4-yl)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-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine?
The IUPAC name of N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine (CID 166157685) is N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine?
The canonical SMILES for N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine is CC(C)(C)NC1CCN(C2CCOCC2F)CC1.
What is the InChIKey of N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine?
The InChIKey is PPGDYFIPAXVYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-14(2,3)16-11-4-7-17(8-5-11)13-6-9-18-10-12(13)15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine?
N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine has a molecular weight of 258.38 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 166157685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).