3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine

C12H24ClNO2 — CID 103184094

IUPAC3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
SMILESCOCCCOCCN1CCC(C)C(Cl)C1
InChIInChI=1S/C12H24ClNO2/c1-11-4-5-14(10-12(11)13)6-9-16-8-3-7-15-2/h11-12H,3-10H2,1-2H3
InChIKeyOVEYCTGDKRFAKO-UHFFFAOYSA-N
MW249.78 g/mol
LogP1.99
Rot. Bonds7

About 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine

3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine (PubChem CID 103184094) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
PubChem CID103184094
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
SMILESCOCCCOCCN1CCC(C)C(Cl)C1
InChIInChI=1S/C12H24ClNO2/c1-11-4-5-14(10-12(11)13)6-9-16-8-3-7-15-2/h11-12H,3-10H2,1-2H3
InChIKeyOVEYCTGDKRFAKO-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 63387445
3-Chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 102959886
3-Chloro-4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 102959910
4-(1-Chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 106838155
4-(1-Chloroethyl)-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 106838187
4-(2-Chloropentyl)morpholine
CID 19907056
4-(2-Chloro-4-methylcyclobutyl)morpholine
CID 67945379
4-(2-Chloro-4-ethylcyclobutyl)morpholine
CID 67945390
2-(Chloromethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386564
3-(Chloromethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386587
3-(Chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386631
3-(Chloromethyl)-1-(2-propan-2-yloxyethyl)piperidine
CID 63386687

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine?
The IUPAC name of 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine (CID 103184094) is 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine.
What is the SMILES notation for 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine?
The canonical SMILES for 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine is COCCCOCCN1CCC(C)C(Cl)C1.
What is the InChIKey of 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine?
The InChIKey is OVEYCTGDKRFAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2/c1-11-4-5-14(10-12(11)13)6-9-16-8-3-7-15-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine?
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine has a molecular weight of 249.78 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine is sourced from PubChem (CID 103184094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).