3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine

C12H16Cl3N3 — CID 102750847

IUPAC3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCCC(CNc2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H16Cl3N3/c1-18-4-2-3-8(7-18)6-16-12-10(14)5-9(13)11(15)17-12/h5,8H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyVYVJRKIIYKGWTQ-UHFFFAOYSA-N
MW308.64 g/mol
LogP3.80
Rot. Bonds3

About 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine

3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine (PubChem CID 102750847) has the molecular formula C12H16Cl3N3 and a molecular weight of 308.64 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
PubChem CID102750847
Molecular FormulaC12H16Cl3N3
Molecular Weight308.64 g/mol
Exact Mass307.04
IUPAC Name3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCCC(CNc2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H16Cl3N3/c1-18-4-2-3-8(7-18)6-16-12-10(14)5-9(13)11(15)17-12/h5,8H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyVYVJRKIIYKGWTQ-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
CID 81035942
5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60855947
4-chloro-2-methyl-6-[(1-methylpiperidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 80732693
3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 102751364
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine (CID 102750847) is 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine is CN1CCCC(CNc2nc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is VYVJRKIIYKGWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3N3/c1-18-4-2-3-8(7-18)6-16-12-10(14)5-9(13)11(15)17-12/h5,8H,2-4,6-7H2,1H3,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 308.64 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 102750847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).