5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine

C13H20ClN3 — CID 55084380

IUPAC5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
SMILESCN1CCCC(N(C)c2ccc(CCl)cn2)C1
InChIInChI=1S/C13H20ClN3/c1-16-7-3-4-12(10-16)17(2)13-6-5-11(8-14)9-15-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyYJDXPNKEBFCLCM-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.35
Rot. Bonds3

About 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine

5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine (PubChem CID 55084380) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
PubChem CID55084380
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
SMILESCN1CCCC(N(C)c2ccc(CCl)cn2)C1
InChIInChI=1S/C13H20ClN3/c1-16-7-3-4-12(10-16)17(2)13-6-5-11(8-14)9-15-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyYJDXPNKEBFCLCM-UHFFFAOYSA-N
XLogP2.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine (CID 55084380) is 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine is CN1CCCC(N(C)c2ccc(CCl)cn2)C1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine?
The InChIKey is YJDXPNKEBFCLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-16-7-3-4-12(10-16)17(2)13-6-5-11(8-14)9-15-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine?
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 55084380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).