4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine

C10H19FN2O — CID 164659496

IUPAC4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCC(F)CC1
InChIInChI=1S/C10H19FN2O/c11-9-1-3-13(4-2-9)5-8-6-14-7-10(8)12/h8-10H,1-7,12H2
InChIKeyZGDLEPHPUIZVIN-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.39
Rot. Bonds2

About 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine

4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine (PubChem CID 164659496) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine
PubChem CID164659496
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCC(F)CC1
InChIInChI=1S/C10H19FN2O/c11-9-1-3-13(4-2-9)5-8-6-14-7-10(8)12/h8-10H,1-7,12H2
InChIKeyZGDLEPHPUIZVIN-UHFFFAOYSA-N
XLogP0.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine (CID 164659496) is 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine is NC1COCC1CN1CCC(F)CC1.
What is the InChIKey of 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine?
The InChIKey is ZGDLEPHPUIZVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c11-9-1-3-13(4-2-9)5-8-6-14-7-10(8)12/h8-10H,1-7,12H2.
What are the key properties of 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine?
4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine has a molecular weight of 202.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoropiperidin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 164659496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).