(3-fluoropiperidin-3-yl)methanol;hydrochloride

C6H13ClFNO — CID 71742825

IUPAC(3-fluoropiperidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1(F)CCCNC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(5-9)2-1-3-8-4-6;/h8-9H,1-5H2;1H
InChIKeyAGSUXIYGGWFJKX-UHFFFAOYSA-N
MW169.63 g/mol
LogP0.49
Rot. Bonds1

About (3-fluoropiperidin-3-yl)methanol;hydrochloride

(3-fluoropiperidin-3-yl)methanol;hydrochloride (PubChem CID 71742825) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is (3-fluoropiperidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-fluoropiperidin-3-yl)methanol;hydrochloride
PubChem CID71742825
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name(3-fluoropiperidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1(F)CCCNC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(5-9)2-1-3-8-4-6;/h8-9H,1-5H2;1H
InChIKeyAGSUXIYGGWFJKX-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropiperidin-3-yl)methanol;hydrochloride?
The IUPAC name of (3-fluoropiperidin-3-yl)methanol;hydrochloride (CID 71742825) is (3-fluoropiperidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (3-fluoropiperidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (3-fluoropiperidin-3-yl)methanol;hydrochloride is Cl.OCC1(F)CCCNC1.
What is the InChIKey of (3-fluoropiperidin-3-yl)methanol;hydrochloride?
The InChIKey is AGSUXIYGGWFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO.ClH/c7-6(5-9)2-1-3-8-4-6;/h8-9H,1-5H2;1H.
What are the key properties of (3-fluoropiperidin-3-yl)methanol;hydrochloride?
(3-fluoropiperidin-3-yl)methanol;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropiperidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 71742825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).