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

C11H21FN2O — CID 105470255

IUPACN-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine
SMILESFC1(CNC2CCCOC2)CCCNC1
InChIInChI=1S/C11H21FN2O/c12-11(4-2-5-13-8-11)9-14-10-3-1-6-15-7-10/h10,13-14H,1-9H2
InChIKeyVDBTZWJGPRZKJR-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.85
Rot. Bonds3

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

N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine (PubChem CID 105470255) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine
PubChem CID105470255
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC NameN-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine
SMILESFC1(CNC2CCCOC2)CCCNC1
InChIInChI=1S/C11H21FN2O/c12-11(4-2-5-13-8-11)9-14-10-3-1-6-15-7-10/h10,13-14H,1-9H2
InChIKeyVDBTZWJGPRZKJR-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-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine (CID 105470255) is N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine is FC1(CNC2CCCOC2)CCCNC1.
What is the InChIKey of N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine?
The InChIKey is VDBTZWJGPRZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c12-11(4-2-5-13-8-11)9-14-10-3-1-6-15-7-10/h10,13-14H,1-9H2.
What are the key properties of N-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine?
N-[(3-fluoropiperidin-3-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-[(3-fluoropiperidin-3-yl)methyl]oxan-3-amine is sourced from PubChem (CID 105470255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).