3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

C16H26ClN3 — CID 63236337

IUPAC3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(C)c(CCl)c(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C16H26ClN3/c1-12-9-13(2)18-16(15(12)10-17)20(4)11-14-5-7-19(3)8-6-14/h9,14H,5-8,10-11H2,1-4H3
InChIKeyBRVOVTBQYMMBMS-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.22
Rot. Bonds4

About 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (PubChem CID 63236337) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
PubChem CID63236337
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(C)c(CCl)c(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C16H26ClN3/c1-12-9-13(2)18-16(15(12)10-17)20(4)11-14-5-7-19(3)8-6-14/h9,14H,5-8,10-11H2,1-4H3
InChIKeyBRVOVTBQYMMBMS-UHFFFAOYSA-N
XLogP3.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dimethyl-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 2816057
2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 2972281
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-Heptyl-6-piperidin-1-ylpyridine
CID 14570979
1-(6-Heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride
CID 45264105
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
1-[4-(4-Fluorophenyl)butyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 9797464
1-Benzyl-4-(6-chloropyridin-2-yl)piperazine
CID 53408270
(2-Methyl-6-(pyrrolidin-1-yl)pyridin-4-yl)methanamine
CID 112756239

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (CID 63236337) is 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is Cc1cc(C)c(CCl)c(N(C)CC2CCN(C)CC2)n1.
What is the InChIKey of 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is BRVOVTBQYMMBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-12-9-13(2)18-16(15(12)10-17)20(4)11-14-5-7-19(3)8-6-14/h9,14H,5-8,10-11H2,1-4H3.
What are the key properties of 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine has a molecular weight of 295.86 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63236337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).