3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine

C15H23ClN2 — CID 62932297

IUPAC3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine
SMILESCc1cc(C)c(CCl)c(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H23ClN2/c1-11-9-12(2)17-14(13(11)10-16)18-7-5-15(3,4)6-8-18/h9H,5-8,10H2,1-4H3
InChIKeyUDVQGSLLFOBJMT-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.06
Rot. Bonds2

About 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine

3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine (PubChem CID 62932297) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine
PubChem CID62932297
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine
SMILESCc1cc(C)c(CCl)c(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H23ClN2/c1-11-9-12(2)17-14(13(11)10-16)18-7-5-15(3,4)6-8-18/h9H,5-8,10H2,1-4H3
InChIKeyUDVQGSLLFOBJMT-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.06
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

3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
CID 61256984
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine
CID 61256841
3-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79174406
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 62968990
2-(3-tert-butylpyrrolidin-1-yl)-3-(chloromethyl)-4,6-dimethylpyridine
CID 113418487
2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62930076
3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine
CID 106588358
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 63159924
6-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199802
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 63192669
3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine
CID 61255936
[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61445464

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine (CID 62932297) is 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine is Cc1cc(C)c(CCl)c(N2CCC(C)(C)CC2)n1.
What is the InChIKey of 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine?
The InChIKey is UDVQGSLLFOBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-9-12(2)17-14(13(11)10-16)18-7-5-15(3,4)6-8-18/h9H,5-8,10H2,1-4H3.
What are the key properties of 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine?
3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine has a molecular weight of 266.82 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine is sourced from PubChem (CID 62932297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).