2-(2-chloroethyl)-1-methylpiperidine

C8H16ClN — CID 3016566

IUPAC2-(2-chloroethyl)-1-methylpiperidine
SMILESCN1CCCCC1CCCl
InChIInChI=1S/C8H16ClN/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3
InChIKeyUMYMWCKSANKFPI-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-chloroethyl)-1-methylpiperidine

2-(2-chloroethyl)-1-methylpiperidine (PubChem CID 3016566) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-methylpiperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-methylpiperidine
PubChem CID3016566
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-(2-chloroethyl)-1-methylpiperidine
SMILESCN1CCCCC1CCCl
InChIInChI=1S/C8H16ClN/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3
InChIKeyUMYMWCKSANKFPI-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-chloroethyl)-1-methylpiperidine?
The IUPAC name of 2-(2-chloroethyl)-1-methylpiperidine (CID 3016566) is 2-(2-chloroethyl)-1-methylpiperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-methylpiperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-methylpiperidine is CN1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-methylpiperidine?
The InChIKey is UMYMWCKSANKFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-methylpiperidine?
2-(2-chloroethyl)-1-methylpiperidine has a molecular weight of 161.68 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-methylpiperidine is sourced from PubChem (CID 3016566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).