N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine

C13H27FN2O — CID 169213936

IUPACN-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCOCC1CCN(F)CC1
InChIInChI=1S/C13H27FN2O/c1-12(2)10-15(3)8-9-17-11-13-4-6-16(14)7-5-13/h12-13H,4-11H2,1-3H3
InChIKeyOLTLHSVOTSKGAQ-UHFFFAOYSA-N
MW246.37 g/mol
LogP2.19
Rot. Bonds7

About N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine

N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine (PubChem CID 169213936) has the molecular formula C13H27FN2O and a molecular weight of 246.37 g/mol. Its IUPAC name is N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine
PubChem CID169213936
Molecular FormulaC13H27FN2O
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC NameN-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCOCC1CCN(F)CC1
InChIInChI=1S/C13H27FN2O/c1-12(2)10-15(3)8-9-17-11-13-4-6-16(14)7-5-13/h12-13H,4-11H2,1-3H3
InChIKeyOLTLHSVOTSKGAQ-UHFFFAOYSA-N
XLogP2.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-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-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine (CID 169213936) is N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CCOCC1CCN(F)CC1.
What is the InChIKey of N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine?
The InChIKey is OLTLHSVOTSKGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O/c1-12(2)10-15(3)8-9-17-11-13-4-6-16(14)7-5-13/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine?
N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine has a molecular weight of 246.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-fluoropiperidin-4-yl)methoxy]ethyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 169213936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).