(2-fluoroethylamino)-piperidin-4-ylmethanol

C8H17FN2O — CID 155259299

IUPAC(2-fluoroethylamino)-piperidin-4-ylmethanol
SMILESOC(NCCF)C1CCNCC1
InChIInChI=1S/C8H17FN2O/c9-3-6-11-8(12)7-1-4-10-5-2-7/h7-8,10-12H,1-6H2
InChIKeyDHYHTARGJDDGQM-UHFFFAOYSA-N
MW176.23 g/mol
LogP-0.14
Rot. Bonds4

About (2-fluoroethylamino)-piperidin-4-ylmethanol

(2-fluoroethylamino)-piperidin-4-ylmethanol (PubChem CID 155259299) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is (2-fluoroethylamino)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(2-fluoroethylamino)-piperidin-4-ylmethanol
PubChem CID155259299
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name(2-fluoroethylamino)-piperidin-4-ylmethanol
SMILESOC(NCCF)C1CCNCC1
InChIInChI=1S/C8H17FN2O/c9-3-6-11-8(12)7-1-4-10-5-2-7/h7-8,10-12H,1-6H2
InChIKeyDHYHTARGJDDGQM-UHFFFAOYSA-N
XLogP-0.14
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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 (2-fluoroethylamino)-piperidin-4-ylmethanol?
The IUPAC name of (2-fluoroethylamino)-piperidin-4-ylmethanol (CID 155259299) is (2-fluoroethylamino)-piperidin-4-ylmethanol.
What is the SMILES notation for (2-fluoroethylamino)-piperidin-4-ylmethanol?
The canonical SMILES for (2-fluoroethylamino)-piperidin-4-ylmethanol is OC(NCCF)C1CCNCC1.
What is the InChIKey of (2-fluoroethylamino)-piperidin-4-ylmethanol?
The InChIKey is DHYHTARGJDDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c9-3-6-11-8(12)7-1-4-10-5-2-7/h7-8,10-12H,1-6H2.
What are the key properties of (2-fluoroethylamino)-piperidin-4-ylmethanol?
(2-fluoroethylamino)-piperidin-4-ylmethanol has a molecular weight of 176.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoroethylamino)-piperidin-4-ylmethanol is sourced from PubChem (CID 155259299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).