amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol

C8H17FN2O — CID 89222934

IUPACamino-[1-(2-fluoroethyl)piperidin-4-yl]methanol
SMILESNC(O)C1CCN(CCF)CC1
InChIInChI=1S/C8H17FN2O/c9-3-6-11-4-1-7(2-5-11)8(10)12/h7-8,12H,1-6,10H2
InChIKeyPMNJIAXIMWJMAW-UHFFFAOYSA-N
MW176.23 g/mol
LogP-0.05
Rot. Bonds3

About amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol

amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol (PubChem CID 89222934) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Nameamino-[1-(2-fluoroethyl)piperidin-4-yl]methanol
PubChem CID89222934
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Nameamino-[1-(2-fluoroethyl)piperidin-4-yl]methanol
SMILESNC(O)C1CCN(CCF)CC1
InChIInChI=1S/C8H17FN2O/c9-3-6-11-4-1-7(2-5-11)8(10)12/h7-8,12H,1-6,10H2
InChIKeyPMNJIAXIMWJMAW-UHFFFAOYSA-N
XLogP-0.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol?
The IUPAC name of amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol (CID 89222934) is amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol.
What is the SMILES notation for amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol?
The canonical SMILES for amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol is NC(O)C1CCN(CCF)CC1.
What is the InChIKey of amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol?
The InChIKey is PMNJIAXIMWJMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c9-3-6-11-4-1-7(2-5-11)8(10)12/h7-8,12H,1-6,10H2.
What are the key properties of amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol?
amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol has a molecular weight of 176.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-(2-fluoroethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 89222934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).