(1-fluoropiperidin-3-yl)methanol

C6H12FNO — CID 151536798

IUPAC(1-fluoropiperidin-3-yl)methanol
SMILESOCC1CCCN(F)C1
InChIInChI=1S/C6H12FNO/c7-8-3-1-2-6(4-8)5-9/h6,9H,1-5H2
InChIKeyPXPZDSSFVBIQKQ-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.58
Rot. Bonds1

About (1-fluoropiperidin-3-yl)methanol

(1-fluoropiperidin-3-yl)methanol (PubChem CID 151536798) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (1-fluoropiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-fluoropiperidin-3-yl)methanol
PubChem CID151536798
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(1-fluoropiperidin-3-yl)methanol
SMILESOCC1CCCN(F)C1
InChIInChI=1S/C6H12FNO/c7-8-3-1-2-6(4-8)5-9/h6,9H,1-5H2
InChIKeyPXPZDSSFVBIQKQ-UHFFFAOYSA-N
XLogP0.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-fluoropiperidin-3-yl)methanol?
The IUPAC name of (1-fluoropiperidin-3-yl)methanol (CID 151536798) is (1-fluoropiperidin-3-yl)methanol.
What is the SMILES notation for (1-fluoropiperidin-3-yl)methanol?
The canonical SMILES for (1-fluoropiperidin-3-yl)methanol is OCC1CCCN(F)C1.
What is the InChIKey of (1-fluoropiperidin-3-yl)methanol?
The InChIKey is PXPZDSSFVBIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-8-3-1-2-6(4-8)5-9/h6,9H,1-5H2.
What are the key properties of (1-fluoropiperidin-3-yl)methanol?
(1-fluoropiperidin-3-yl)methanol has a molecular weight of 133.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoropiperidin-3-yl)methanol is sourced from PubChem (CID 151536798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).