2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine

C17H28N2 — CID 165372455

IUPAC2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine
SMILESCC(C)C(c1ccc(N2CCCCC2)cn1)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(14(3)4)16-9-8-15(12-18-16)19-10-6-5-7-11-19/h8-9,12-14,17H,5-7,10-11H2,1-4H3
InChIKeyMIQROHHIWHHBST-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.47
Rot. Bonds4

About 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine

2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine (PubChem CID 165372455) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine
PubChem CID165372455
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine
SMILESCC(C)C(c1ccc(N2CCCCC2)cn1)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(14(3)4)16-9-8-15(12-18-16)19-10-6-5-7-11-19/h8-9,12-14,17H,5-7,10-11H2,1-4H3
InChIKeyMIQROHHIWHHBST-UHFFFAOYSA-N
XLogP4.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
(1S)-1-[5-(1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 83122995
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83127547
(1R)-1-[5-(4-piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83110821
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 114083488
2,5-di(piperidin-1-yl)pyridine
CID 56695292
1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122852
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122934

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine?
The IUPAC name of 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine (CID 165372455) is 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine.
What is the SMILES notation for 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine?
The canonical SMILES for 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine is CC(C)C(c1ccc(N2CCCCC2)cn1)C(C)C.
What is the InChIKey of 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine?
The InChIKey is MIQROHHIWHHBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)17(14(3)4)16-9-8-15(12-18-16)19-10-6-5-7-11-19/h8-9,12-14,17H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine?
2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine has a molecular weight of 260.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine is sourced from PubChem (CID 165372455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).