N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine

C16H26FN3O — CID 105391574

IUPACN-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCC2CCCCN2C)c1F
InChIInChI=1S/C16H26FN3O/c1-3-8-18-11-13-7-9-19-16(15(13)17)21-12-14-6-4-5-10-20(14)2/h7,9,14,18H,3-6,8,10-12H2,1-2H3
InChIKeyMEQVDXRPKBTFLS-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.58
Rot. Bonds7

About N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine

N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105391574) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
PubChem CID105391574
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCC2CCCCN2C)c1F
InChIInChI=1S/C16H26FN3O/c1-3-8-18-11-13-7-9-19-16(15(13)17)21-12-14-6-4-5-10-20(14)2/h7,9,14,18H,3-6,8,10-12H2,1-2H3
InChIKeyMEQVDXRPKBTFLS-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Florbetapir F-18
CID 24822371
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-2-pyridin-4-yl-vinyl)-pyridine
CID 44372347
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine (CID 105391574) is N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OCC2CCCCN2C)c1F.
What is the InChIKey of N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is MEQVDXRPKBTFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-3-8-18-11-13-7-9-19-16(15(13)17)21-12-14-6-4-5-10-20(14)2/h7,9,14,18H,3-6,8,10-12H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine?
N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105391574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).