N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine

C11H21FN2O — CID 105470252

IUPACN-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine
SMILESFC1(CNC2CCCOC2)CCNCC1
InChIInChI=1S/C11H21FN2O/c12-11(3-5-13-6-4-11)9-14-10-2-1-7-15-8-10/h10,13-14H,1-9H2
InChIKeyWIWSMSDIOLOHTK-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.85
Rot. Bonds3

About N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine

N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine (PubChem CID 105470252) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine
PubChem CID105470252
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine
SMILESFC1(CNC2CCCOC2)CCNCC1
InChIInChI=1S/C11H21FN2O/c12-11(3-5-13-6-4-11)9-14-10-2-1-7-15-8-10/h10,13-14H,1-9H2
InChIKeyWIWSMSDIOLOHTK-UHFFFAOYSA-N
XLogP0.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine (CID 105470252) is N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine is FC1(CNC2CCCOC2)CCNCC1.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine?
The InChIKey is WIWSMSDIOLOHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c12-11(3-5-13-6-4-11)9-14-10-2-1-7-15-8-10/h10,13-14H,1-9H2.
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine?
N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine has a molecular weight of 216.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 105470252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).