2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine

C14H22ClN3 — CID 55002534

IUPAC2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine
SMILESCCN1CCC(N(C)c2ccnc(CCl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-3-18-8-5-13(6-9-18)17(2)14-4-7-16-12(10-14)11-15/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3
InChIKeyAREQNQOBSFCKDZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.74
Rot. Bonds4

About 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine

2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine (PubChem CID 55002534) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine
PubChem CID55002534
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine
SMILESCCN1CCC(N(C)c2ccnc(CCl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-3-18-8-5-13(6-9-18)17(2)14-4-7-16-12(10-14)11-15/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3
InChIKeyAREQNQOBSFCKDZ-UHFFFAOYSA-N
XLogP2.74
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.74
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 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine (CID 55002534) is 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine is CCN1CCC(N(C)c2ccnc(CCl)c2)CC1.
What is the InChIKey of 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine?
The InChIKey is AREQNQOBSFCKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-18-8-5-13(6-9-18)17(2)14-4-7-16-12(10-14)11-15/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine?
2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine is sourced from PubChem (CID 55002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).