3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine

C10H20ClNO — CID 63388660

IUPAC3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCC(CCCl)C1
InChIInChI=1S/C10H20ClNO/c1-13-8-7-12-6-2-3-10(9-12)4-5-11/h10H,2-9H2,1H3
InChIKeyWMPLCMBAPKXABW-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.97
Rot. Bonds5

About 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine

3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine (PubChem CID 63388660) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
PubChem CID63388660
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCC(CCCl)C1
InChIInChI=1S/C10H20ClNO/c1-13-8-7-12-6-2-3-10(9-12)4-5-11/h10H,2-9H2,1H3
InChIKeyWMPLCMBAPKXABW-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
3-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518381
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane
CID 162375653
3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine
CID 63388757
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine (CID 63388660) is 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine is COCCN1CCCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine?
The InChIKey is WMPLCMBAPKXABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-13-8-7-12-6-2-3-10(9-12)4-5-11/h10H,2-9H2,1H3.
What are the key properties of 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine?
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine has a molecular weight of 205.73 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 63388660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).