2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine

C10H21ClN2O — CID 123175490

IUPAC2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(C)C(Cl)C1
InChIInChI=1S/C10H21ClN2O/c1-12(6-7-14-3)9-4-5-13(2)10(11)8-9/h9-10H,4-8H2,1-3H3
InChIKeyJEHOLVRMQWPQIL-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.22
Rot. Bonds4

About 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine

2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine (PubChem CID 123175490) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine
PubChem CID123175490
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(C)C(Cl)C1
InChIInChI=1S/C10H21ClN2O/c1-12(6-7-14-3)9-4-5-13(2)10(11)8-9/h9-10H,4-8H2,1-3H3
InChIKeyJEHOLVRMQWPQIL-UHFFFAOYSA-N
XLogP1.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine (CID 123175490) is 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine is COCCN(C)C1CCN(C)C(Cl)C1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine?
The InChIKey is JEHOLVRMQWPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O/c1-12(6-7-14-3)9-4-5-13(2)10(11)8-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine?
2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine has a molecular weight of 220.74 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 123175490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).