5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine

C13H19ClN2 — CID 61257198

IUPAC5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)CN(c2ccc(CCl)cn2)C1
InChIInChI=1S/C13H19ClN2/c1-10-5-11(2)9-16(8-10)13-4-3-12(6-14)7-15-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyGJDZOGPQQZEEKY-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.30
Rot. Bonds2

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

5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine (PubChem CID 61257198) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
PubChem CID61257198
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)CN(c2ccc(CCl)cn2)C1
InChIInChI=1S/C13H19ClN2/c1-10-5-11(2)9-16(8-10)13-4-3-12(6-14)7-15-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyGJDZOGPQQZEEKY-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 80633426
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
5-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965835
5-(chloromethyl)-2-(3-ethyl-3-methylazetidin-1-yl)pyridine
CID 131025881
5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
CID 62206468
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
CID 177167295
4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629
1-[2-chloro-4-(chloromethyl)phenyl]-3,5-dimethylpiperidine
CID 81152361
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734
5-ethyl-2-(3-iodoazetidin-1-yl)pyridine
CID 88994935

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine (CID 61257198) is 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine is CC1CC(C)CN(c2ccc(CCl)cn2)C1.
What is the InChIKey of 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine?
The InChIKey is GJDZOGPQQZEEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-11(2)9-16(8-10)13-4-3-12(6-14)7-15-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine?
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 61257198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).