[(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol

C13H17FN2O — CID 86787440

IUPAC[(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)c1cncc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(11-5-12(14)7-15-6-11)16-13-3-2-10(4-13)8-17/h2-3,5-7,9-10,13,16-17H,4,8H2,1H3/t9?,10-,13+/m0/s1
InChIKeyMZBTUQCXBCZXRY-QQIFVLEESA-N
MW236.29 g/mol
LogP1.81
Rot. Bonds4

About [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 86787440) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol
PubChem CID86787440
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)c1cncc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(11-5-12(14)7-15-6-11)16-13-3-2-10(4-13)8-17/h2-3,5-7,9-10,13,16-17H,4,8H2,1H3/t9?,10-,13+/m0/s1
InChIKeyMZBTUQCXBCZXRY-QQIFVLEESA-N
XLogP1.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-((3-Pyridylmethyl)amino)propanol
CID 81390
1-(5-Fluoropyridin-3-yl)ethan-1-amine
CID 61519831
3-Amino-2-(pyridin-3-yl)propan-1-ol
CID 193997
1-(3-Pyridinyl)-2-hydroxyethylamine
CID 2734590
2-Amino-2-(pyridin-3-yl)ethan-1-ol dihydrochloride
CID 53407568
(2S)-2-amino-2-(pyridin-3-yl)ethan-1-ol dihydrochloride
CID 67033291
2-Amino-2-(6-methylpyridin-3-yl)ethan-1-ol dihydrochloride
CID 67033904
2-Amino-3-(pyridin-4-yl)propan-1-ol dihydrochloride
CID 75494115
4-Amino-4-(pyridin-3-yl)butan-1-ol
CID 85412290
3-Amino-2-((pyridin-4-yl)methyl)propan-1-ol dihydrochloride
CID 91647675
(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol
CID 961331
2-[4-[(1-Pyridin-3-ylethylamino)methyl]piperidin-1-yl]ethanol
CID 53574420

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol (CID 86787440) is [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol is CC(N[C@@H]1C=C[C@H](CO)C1)c1cncc(F)c1.
What is the InChIKey of [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is MZBTUQCXBCZXRY-QQIFVLEESA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(11-5-12(14)7-15-6-11)16-13-3-2-10(4-13)8-17/h2-3,5-7,9-10,13,16-17H,4,8H2,1H3/t9?,10-,13+/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 236.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86787440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).