[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol

C12H17FN2O — CID 115927993

IUPAC[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol
SMILESCC(NC1(CO)CCC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(10-5-11(13)7-14-6-10)15-12(8-16)3-2-4-12/h5-7,9,15-16H,2-4,8H2,1H3
InChIKeyTWCXJFSARRMNLH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.79
Rot. Bonds4

About [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol

[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol (PubChem CID 115927993) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol
PubChem CID115927993
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol
SMILESCC(NC1(CO)CCC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O/c1-9(10-5-11(13)7-14-6-10)15-12(8-16)3-2-4-12/h5-7,9,15-16H,2-4,8H2,1H3
InChIKeyTWCXJFSARRMNLH-UHFFFAOYSA-N
XLogP1.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 113364614
1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 103776011
1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 75445050
5-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-3-sulfonamide
CID 113431326
4-(5-fluoro-3-pyridinyl)pentan-1-ol
CID 177007789
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
[1-(diethylamino)cyclopentyl]-(5-fluoro-3-pyridinyl)methanol
CID 79070018
[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol
CID 115927986
1-(1-bicyclo[2.2.2]octanyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]methanesulfonamide
CID 128775373
3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 113372086
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 103907148

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol?
The IUPAC name of [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol (CID 115927993) is [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol is CC(NC1(CO)CCC1)c1cncc(F)c1.
What is the InChIKey of [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol?
The InChIKey is TWCXJFSARRMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(10-5-11(13)7-14-6-10)15-12(8-16)3-2-4-12/h5-7,9,15-16H,2-4,8H2,1H3.
What are the key properties of [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol?
[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol is sourced from PubChem (CID 115927993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).