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

C12H17ClN2 — CID 103878204

IUPAC2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ccnc(Cl)c2)CC1C
InChIInChI=1S/C12H17ClN2/c1-9-4-6-15(8-10(9)2)11-3-5-14-12(13)7-11/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyUAXAAGVBTGXUCT-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.22
Rot. Bonds1

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

2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine (PubChem CID 103878204) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
PubChem CID103878204
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ccnc(Cl)c2)CC1C
InChIInChI=1S/C12H17ClN2/c1-9-4-6-15(8-10(9)2)11-3-5-14-12(13)7-11/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyUAXAAGVBTGXUCT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[3-(2-methylbut-3-en-2-yl)pyrrolidin-1-yl]pyridine
CID 166648375
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 103757124
1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
CID 106670872
4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
CID 102960739
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine (CID 103878204) is 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine is CC1CCN(c2ccnc(Cl)c2)CC1C.
What is the InChIKey of 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine?
The InChIKey is UAXAAGVBTGXUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-4-6-15(8-10(9)2)11-3-5-14-12(13)7-11/h3,5,7,9-10H,4,6,8H2,1-2H3.
What are the key properties of 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine?
2-chloro-4-(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 2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 103878204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).