4-(2-chloroethyl)-1-methylpiperidine

C8H16ClN — CID 22568277

IUPAC4-(2-chloroethyl)-1-methylpiperidine
SMILESCN1CCC(CCCl)CC1
InChIInChI=1S/C8H16ClN/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7H2,1H3
InChIKeyGEESGZXBPQEFBQ-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.96
Rot. Bonds2

About 4-(2-chloroethyl)-1-methylpiperidine

4-(2-chloroethyl)-1-methylpiperidine (PubChem CID 22568277) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 4-(2-chloroethyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-chloroethyl)-1-methylpiperidine
PubChem CID22568277
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name4-(2-chloroethyl)-1-methylpiperidine
SMILESCN1CCC(CCCl)CC1
InChIInChI=1S/C8H16ClN/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7H2,1H3
InChIKeyGEESGZXBPQEFBQ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
CID 154791310
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
4-(3-iodopropyl)-1-methylpiperidine
CID 18723182
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
3-chloropropylcyclohexane;ethane;1-methylazetidine
CID 145242448
2-(1-methylpiperidin-4-yl)ethylphosphonous acid
CID 143159252
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
1,3-bis(2-chloroethyl)pyrrolidine;hydrochloride
CID 69446979
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 114516550
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-1-methylpiperidine?
The IUPAC name of 4-(2-chloroethyl)-1-methylpiperidine (CID 22568277) is 4-(2-chloroethyl)-1-methylpiperidine.
What is the SMILES notation for 4-(2-chloroethyl)-1-methylpiperidine?
The canonical SMILES for 4-(2-chloroethyl)-1-methylpiperidine is CN1CCC(CCCl)CC1.
What is the InChIKey of 4-(2-chloroethyl)-1-methylpiperidine?
The InChIKey is GEESGZXBPQEFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7H2,1H3.
What are the key properties of 4-(2-chloroethyl)-1-methylpiperidine?
4-(2-chloroethyl)-1-methylpiperidine has a molecular weight of 161.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-1-methylpiperidine is sourced from PubChem (CID 22568277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).