2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine

C9H19ClN2 — CID 63387040

IUPAC2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCC(Cl)C1
InChIInChI=1S/C9H19ClN2/c1-11(2)6-7-12-5-3-4-9(10)8-12/h9H,3-8H2,1-2H3
InChIKeyVFLMDNTZUGJQQX-UHFFFAOYSA-N
MW190.72 g/mol
LogP1.25
Rot. Bonds3

About 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine

2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine (PubChem CID 63387040) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
PubChem CID63387040
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC Name2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCC(Cl)C1
InChIInChI=1S/C9H19ClN2/c1-11(2)6-7-12-5-3-4-9(10)8-12/h9H,3-8H2,1-2H3
InChIKeyVFLMDNTZUGJQQX-UHFFFAOYSA-N
XLogP1.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine (CID 63387040) is 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CCCC(Cl)C1.
What is the InChIKey of 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine?
The InChIKey is VFLMDNTZUGJQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2/c1-11(2)6-7-12-5-3-4-9(10)8-12/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine?
2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine has a molecular weight of 190.72 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 63387040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).