(3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol

C7H15FN2O — CID 129498987

IUPAC(3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol
SMILESNN1CC[C@H](O)[C@@H](CCF)C1
InChIInChI=1S/C7H15FN2O/c8-3-1-6-5-10(9)4-2-7(6)11/h6-7,11H,1-5,9H2/t6-,7-/m0/s1
InChIKeyIZLNJBHIMQUBTQ-BQBZGAKWSA-N
MW162.21 g/mol
LogP-0.10
Rot. Bonds2

About (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol

(3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol (PubChem CID 129498987) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol
PubChem CID129498987
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name(3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol
SMILESNN1CC[C@H](O)[C@@H](CCF)C1
InChIInChI=1S/C7H15FN2O/c8-3-1-6-5-10(9)4-2-7(6)11/h6-7,11H,1-5,9H2/t6-,7-/m0/s1
InChIKeyIZLNJBHIMQUBTQ-BQBZGAKWSA-N
XLogP-0.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.10
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 (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol (CID 129498987) is (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol is NN1CC[C@H](O)[C@@H](CCF)C1.
What is the InChIKey of (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
The InChIKey is IZLNJBHIMQUBTQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15FN2O/c8-3-1-6-5-10(9)4-2-7(6)11/h6-7,11H,1-5,9H2/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
(3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol has a molecular weight of 162.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol is sourced from PubChem (CID 129498987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).