1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride

C9H19Cl2N — CID 139755409

IUPAC1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride
SMILESCC(Cl)N1C(C)CCCC1C.Cl
InChIInChI=1S/C9H18ClN.ClH/c1-7-5-4-6-8(2)11(7)9(3)10;/h7-9H,4-6H2,1-3H3;1H
InChIKeyRGTGPIKUDBETPG-UHFFFAOYSA-N
MW212.16 g/mol
LogP3.26
Rot. Bonds1

About 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride

1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride (PubChem CID 139755409) has the molecular formula C9H19Cl2N and a molecular weight of 212.16 g/mol. Its IUPAC name is 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride
PubChem CID139755409
Molecular FormulaC9H19Cl2N
Molecular Weight212.16 g/mol
Exact Mass211.09
IUPAC Name1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride
SMILESCC(Cl)N1C(C)CCCC1C.Cl
InChIInChI=1S/C9H18ClN.ClH/c1-7-5-4-6-8(2)11(7)9(3)10;/h7-9H,4-6H2,1-3H3;1H
InChIKeyRGTGPIKUDBETPG-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-1-(3-chloropropyl)piperidine--hydrogen bromide (1/1)
CID 149031
2-(2-Chloroethyl)-1-methylpiperidine
CID 3016566
2-(2-Chloroethyl)-1-methylpiperidinium chloride
CID 12432704
1-(2-Chloroethyl)-2-(chloromethyl)piperidine hydrochloride
CID 21123220
cis-1-(3-Chloropropyl)-2,6-dimethyl-piperidin hydrochloride
CID 12923592
1-(gamma-Chloropropyl)-2-chloromethylpiperidine
CID 133634
(beta-Chloroethyl)-2-chloromethylpiperidine
CID 153049
4-Chloro-1-(propan-2-yl)piperidine hydrochloride
CID 137935664
1,2,6-Trimethylpiperidine hydrochloride
CID 12698396
1-(3-Chloropropyl)-2-methylpiperidine
CID 13806001
3-Chloro-1-(1-methylethyl)piperidine
CID 63386890
Piperidine, 1-(2-chloroethyl)-2-(chloromethyl)-, hydrobromide
CID 153048

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride (CID 139755409) is 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride is CC(Cl)N1C(C)CCCC1C.Cl.
What is the InChIKey of 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride?
The InChIKey is RGTGPIKUDBETPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN.ClH/c1-7-5-4-6-8(2)11(7)9(3)10;/h7-9H,4-6H2,1-3H3;1H.
What are the key properties of 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride?
1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride has a molecular weight of 212.16 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 139755409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).