1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride

C8H16Cl3N — CID 21123220

IUPAC1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride
SMILESCl.ClCCN1CCCCC1CCl
InChIInChI=1S/C8H15Cl2N.ClH/c9-4-6-11-5-2-1-3-8(11)7-10;/h8H,1-7H2;1H
InChIKeyFVTCGYNXQSQUAO-UHFFFAOYSA-N
MW232.58 g/mol
LogP2.74
Rot. Bonds3

About 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride

1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride (PubChem CID 21123220) has the molecular formula C8H16Cl3N and a molecular weight of 232.58 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride
PubChem CID21123220
Molecular FormulaC8H16Cl3N
Molecular Weight232.58 g/mol
Exact Mass231.03
IUPAC Name1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride
SMILESCl.ClCCN1CCCCC1CCl
InChIInChI=1S/C8H15Cl2N.ClH/c9-4-6-11-5-2-1-3-8(11)7-10;/h8H,1-7H2;1H
InChIKeyFVTCGYNXQSQUAO-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.58
LogP ≤ 52.74
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 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride?
The IUPAC name of 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride (CID 21123220) is 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride?
The canonical SMILES for 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride is Cl.ClCCN1CCCCC1CCl.
What is the InChIKey of 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride?
The InChIKey is FVTCGYNXQSQUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2N.ClH/c9-4-6-11-5-2-1-3-8(11)7-10;/h8H,1-7H2;1H.
What are the key properties of 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride?
1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride has a molecular weight of 232.58 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2-(chloromethyl)piperidine;hydrochloride is sourced from PubChem (CID 21123220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).