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

C7H15FN2O — CID 129498991

IUPAC(3R,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+/m1/s1
InChIKeyIZLNJBHIMQUBTQ-RQJHMYQMSA-N
MW162.21 g/mol
LogP-0.10
Rot. Bonds2

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

(3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol (PubChem CID 129498991) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol
PubChem CID129498991
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name(3R,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+/m1/s1
InChIKeyIZLNJBHIMQUBTQ-RQJHMYQMSA-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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Related Compounds

1-Amino-3-fluoropiperidin-4-ol
CID 89663016
1-amino-4-fluoro-4-Piperidinemethanol
CID 167463461
1-Amino-2,5-dimethylpiperid-4-ol
CID 129794053
1-Amino-3-(2-fluoroethyl)piperidin-4-ol
CID 121203066
(3S,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol
CID 129498987
(3S,4R)-1-amino-3-(2-fluoroethyl)piperidin-4-ol
CID 129498989
(3R,4R)-1-amino-3-(2-fluoroethyl)piperidin-4-ol
CID 129498990
1-(1-Aminopiperidin-4-yl)-2-methylpropan-1-ol
CID 89140142
1-Amino-3-methylpiperidin-4-ol
CID 114683877
1-(1-Aminopiperidin-3-yl)ethan-1-ol
CID 121201703
1-(1-Aminopiperidin-4-yl)butan-1-ol
CID 141012556
1-(1-Aminopiperidin-4-yl)propan-1-ol
CID 141012575

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
The IUPAC name of (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol (CID 129498991) is (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
The canonical SMILES for (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol is NN1CC[C@H](O)[C@H](CCF)C1.
What is the InChIKey of (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
The InChIKey is IZLNJBHIMQUBTQ-RQJHMYQMSA-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+/m1/s1.
What are the key properties of (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol?
(3R,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 (3R,4S)-1-amino-3-(2-fluoroethyl)piperidin-4-ol is sourced from PubChem (CID 129498991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).