[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine

C12H17Cl2N3 — CID 116519780

IUPAC[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cnc(Cl)cc2Cl)C1
InChIInChI=1S/C12H17Cl2N3/c13-11-4-12(14)16-6-10(11)8-17-3-1-2-9(5-15)7-17/h4,6,9H,1-3,5,7-8,15H2
InChIKeyODJXGIZUQVPISR-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.56
Rot. Bonds3

About [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine

[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine (PubChem CID 116519780) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
PubChem CID116519780
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cnc(Cl)cc2Cl)C1
InChIInChI=1S/C12H17Cl2N3/c13-11-4-12(14)16-6-10(11)8-17-3-1-2-9(5-15)7-17/h4,6,9H,1-3,5,7-8,15H2
InChIKeyODJXGIZUQVPISR-UHFFFAOYSA-N
XLogP2.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.56
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

2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 116519047
2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 116518981
2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 116518828
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
ethyl (3R)-1-[(4,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104889125
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836829
[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine
CID 116518803
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 117045104

Frequently Asked Questions

What is the IUPAC name of [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine (CID 116519780) is [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine is NCC1CCCN(Cc2cnc(Cl)cc2Cl)C1.
What is the InChIKey of [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is ODJXGIZUQVPISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c13-11-4-12(14)16-6-10(11)8-17-3-1-2-9(5-15)7-17/h4,6,9H,1-3,5,7-8,15H2.
What are the key properties of [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 274.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 116519780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).