5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine

C12H17ClN2 — CID 115871255

IUPAC5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ccc(Cl)cn2)CC1C
InChIInChI=1S/C12H17ClN2/c1-9-5-6-15(8-10(9)2)12-4-3-11(13)7-14-12/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyVOHYFWXBYMVZRP-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.22
Rot. Bonds1

About 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine

5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine (PubChem CID 115871255) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
PubChem CID115871255
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ccc(Cl)cn2)CC1C
InChIInChI=1S/C12H17ClN2/c1-9-5-6-15(8-10(9)2)12-4-3-11(13)7-14-12/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyVOHYFWXBYMVZRP-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 128980942
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
O-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]hydroxylamine
CID 129043755
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine (CID 115871255) is 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine is CC1CCN(c2ccc(Cl)cn2)CC1C.
What is the InChIKey of 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine?
The InChIKey is VOHYFWXBYMVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-5-6-15(8-10(9)2)12-4-3-11(13)7-14-12/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine?
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine has a molecular weight of 224.73 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 115871255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).