3-chloro-1-ethylpiperidine;hydrochloride

C7H15Cl2N — CID 3084922

IUPAC3-chloro-1-ethylpiperidine;hydrochloride
SMILESCCN1CCCC(Cl)C1.Cl
InChIInChI=1S/C7H14ClN.ClH/c1-2-9-5-3-4-7(8)6-9;/h7H,2-6H2,1H3;1H
InChIKeyGCYLZFFNTNESAZ-UHFFFAOYSA-N
MW184.11 g/mol
LogP2.13
Rot. Bonds1

About 3-chloro-1-ethylpiperidine;hydrochloride

3-chloro-1-ethylpiperidine;hydrochloride (PubChem CID 3084922) has the molecular formula C7H15Cl2N and a molecular weight of 184.11 g/mol. Its IUPAC name is 3-chloro-1-ethylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-chloro-1-ethylpiperidine;hydrochloride
PubChem CID3084922
Molecular FormulaC7H15Cl2N
Molecular Weight184.11 g/mol
Exact Mass183.06
IUPAC Name3-chloro-1-ethylpiperidine;hydrochloride
SMILESCCN1CCCC(Cl)C1.Cl
InChIInChI=1S/C7H14ClN.ClH/c1-2-9-5-3-4-7(8)6-9;/h7H,2-6H2,1H3;1H
InChIKeyGCYLZFFNTNESAZ-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 52.13
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 3-chloro-1-ethylpiperidine;hydrochloride?
The IUPAC name of 3-chloro-1-ethylpiperidine;hydrochloride (CID 3084922) is 3-chloro-1-ethylpiperidine;hydrochloride.
What is the SMILES notation for 3-chloro-1-ethylpiperidine;hydrochloride?
The canonical SMILES for 3-chloro-1-ethylpiperidine;hydrochloride is CCN1CCCC(Cl)C1.Cl.
What is the InChIKey of 3-chloro-1-ethylpiperidine;hydrochloride?
The InChIKey is GCYLZFFNTNESAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN.ClH/c1-2-9-5-3-4-7(8)6-9;/h7H,2-6H2,1H3;1H.
What are the key properties of 3-chloro-1-ethylpiperidine;hydrochloride?
3-chloro-1-ethylpiperidine;hydrochloride has a molecular weight of 184.11 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethylpiperidine;hydrochloride is sourced from PubChem (CID 3084922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).