5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol

C12H19FN2O — CID 107272128

IUPAC5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-15(5-3-2-4-6-16)10-11-7-12(13)9-14-8-11/h7-9,16H,2-6,10H2,1H3
InChIKeyBRCIPLYOBLFNED-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.82
Rot. Bonds7

About 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol

5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol (PubChem CID 107272128) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol
PubChem CID107272128
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-15(5-3-2-4-6-16)10-11-7-12(13)9-14-8-11/h7-9,16H,2-6,10H2,1H3
InChIKeyBRCIPLYOBLFNED-UHFFFAOYSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 104785806
N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
CID 130639255
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102877835
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
methyl 2-fluoro-4-[[5-hydroxypentyl(methyl)amino]methyl]benzoate
CID 107200721
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-1-ol
CID 115217645
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 114084409
5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107203900
4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid
CID 115741272

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol (CID 107272128) is 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol is CN(CCCCCO)Cc1cncc(F)c1.
What is the InChIKey of 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol?
The InChIKey is BRCIPLYOBLFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-15(5-3-2-4-6-16)10-11-7-12(13)9-14-8-11/h7-9,16H,2-6,10H2,1H3.
What are the key properties of 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol?
5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107272128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).