3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine

C14H21ClN2 — CID 61256984

IUPAC3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
SMILESCc1cc(C)c(CCl)c(N2CCC(C)CC2)n1
InChIInChI=1S/C14H21ClN2/c1-10-4-6-17(7-5-10)14-13(9-15)11(2)8-12(3)16-14/h8,10H,4-7,9H2,1-3H3
InChIKeySKEPKPWWPYSXBY-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.67
Rot. Bonds2

About 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine

3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine (PubChem CID 61256984) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
PubChem CID61256984
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
SMILESCc1cc(C)c(CCl)c(N2CCC(C)CC2)n1
InChIInChI=1S/C14H21ClN2/c1-10-4-6-17(7-5-10)14-13(9-15)11(2)8-12(3)16-14/h8,10H,4-7,9H2,1-3H3
InChIKeySKEPKPWWPYSXBY-UHFFFAOYSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.67
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

1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-(1-piperidinyl)-
CID 660777
5,7-Dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 12378181
4,6-Dimethyl-2-(pyrrolidin-1-yl)nicotinonitrile
CID 892982
2-(4-Benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 2976184
1-[2-(Dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione
CID 23335401
2-Pyridinamine, 4,6-dimethyl-N-(1-methyl-2-pyrrolidinylidene)-
CID 9588636
2-(5,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N,N-dimethylethanamine
CID 90654319
1-[6-(Cyclohexylmethyl)-4-phenyl-2-pyridinyl]-4-methylpiperazine
CID 172456377
(2-Methyl-6-(pyrrolidin-1-yl)pyridin-4-yl)methanamine
CID 112756239
1,4,6-Trimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 14177029
N,N,3,6-tetramethylpyridin-2-amine
CID 45117664

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine (CID 61256984) is 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine is Cc1cc(C)c(CCl)c(N2CCC(C)CC2)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
The InChIKey is SKEPKPWWPYSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-4-6-17(7-5-10)14-13(9-15)11(2)8-12(3)16-14/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 61256984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).