(1-amino-4-fluoropiperidin-4-yl)methanol

C6H13FN2O — CID 167463461

IUPAC(1-amino-4-fluoropiperidin-4-yl)methanol
SMILESNN1CCC(F)(CO)CC1
InChIInChI=1S/C6H13FN2O/c7-6(5-10)1-3-9(8)4-2-6/h10H,1-5,8H2
InChIKeyOOHZYELDJHYSMO-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.34
Rot. Bonds1

About (1-amino-4-fluoropiperidin-4-yl)methanol

(1-amino-4-fluoropiperidin-4-yl)methanol (PubChem CID 167463461) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is (1-amino-4-fluoropiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-amino-4-fluoropiperidin-4-yl)methanol
PubChem CID167463461
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name(1-amino-4-fluoropiperidin-4-yl)methanol
SMILESNN1CCC(F)(CO)CC1
InChIInChI=1S/C6H13FN2O/c7-6(5-10)1-3-9(8)4-2-6/h10H,1-5,8H2
InChIKeyOOHZYELDJHYSMO-UHFFFAOYSA-N
XLogP-0.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-4-fluoropiperidin-4-yl)methanol?
The IUPAC name of (1-amino-4-fluoropiperidin-4-yl)methanol (CID 167463461) is (1-amino-4-fluoropiperidin-4-yl)methanol.
What is the SMILES notation for (1-amino-4-fluoropiperidin-4-yl)methanol?
The canonical SMILES for (1-amino-4-fluoropiperidin-4-yl)methanol is NN1CCC(F)(CO)CC1.
What is the InChIKey of (1-amino-4-fluoropiperidin-4-yl)methanol?
The InChIKey is OOHZYELDJHYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c7-6(5-10)1-3-9(8)4-2-6/h10H,1-5,8H2.
What are the key properties of (1-amino-4-fluoropiperidin-4-yl)methanol?
(1-amino-4-fluoropiperidin-4-yl)methanol has a molecular weight of 148.18 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-fluoropiperidin-4-yl)methanol is sourced from PubChem (CID 167463461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).