N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine

C15H23ClFN3 — CID 79733561

IUPACN-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C15H23ClFN3/c1-15(2,3)19-10-12-6-4-5-7-20(12)14-13(17)8-11(16)9-18-14/h8-9,12,19H,4-7,10H2,1-3H3
InChIKeyGFGZAGPICVUHPG-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.62
Rot. Bonds3

About N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79733561) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID79733561
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC NameN-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C15H23ClFN3/c1-15(2,3)19-10-12-6-4-5-7-20(12)14-13(17)8-11(16)9-18-14/h8-9,12,19H,4-7,10H2,1-3H3
InChIKeyGFGZAGPICVUHPG-UHFFFAOYSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine
CID 79728781
[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methanol
CID 79727255
[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 79727661
5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
CID 79728793
5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
CID 79727902
2-(chloromethyl)-1-(3,5-dichloro-2-pyridinyl)azepane
CID 116638899
2-methyl-N-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55219733
N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 115973799
4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007961
2-methyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methyl]propan-2-amine
CID 104733642
2-[2-(chloromethyl)pyrrolidin-1-yl]-3,5-difluoropyridine
CID 112676541
[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]methanol
CID 114836463

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine (CID 79733561) is N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCCN1c1ncc(Cl)cc1F.
What is the InChIKey of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GFGZAGPICVUHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-15(2,3)19-10-12-6-4-5-7-20(12)14-13(17)8-11(16)9-18-14/h8-9,12,19H,4-7,10H2,1-3H3.
What are the key properties of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.82 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79733561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).