3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride

C12H26ClNO2 — CID 56830022

IUPAC3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
SMILESCCCOCCOCCC1CCCNC1.Cl
InChIInChI=1S/C12H25NO2.ClH/c1-2-7-14-9-10-15-8-5-12-4-3-6-13-11-12;/h12-13H,2-11H2,1H3;1H
InChIKeyADJPCQWNRHHDLY-UHFFFAOYSA-N
MW251.80 g/mol
LogP2.24
Rot. Bonds8

About 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride

3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride (PubChem CID 56830022) has the molecular formula C12H26ClNO2 and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
PubChem CID56830022
Molecular FormulaC12H26ClNO2
Molecular Weight251.80 g/mol
Exact Mass251.17
IUPAC Name3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
SMILESCCCOCCOCCC1CCCNC1.Cl
InChIInChI=1S/C12H25NO2.ClH/c1-2-7-14-9-10-15-8-5-12-4-3-6-13-11-12;/h12-13H,2-11H2,1H3;1H
InChIKeyADJPCQWNRHHDLY-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-(2-propoxyethyl)pyrrolidine
CID 114796170
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]azepane
CID 104680798
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
2-propoxyethyl 2-piperidin-3-ylacetate
CID 63686889
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride (CID 56830022) is 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride is CCCOCCOCCC1CCCNC1.Cl.
What is the InChIKey of 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride?
The InChIKey is ADJPCQWNRHHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.ClH/c1-2-7-14-9-10-15-8-5-12-4-3-6-13-11-12;/h12-13H,2-11H2,1H3;1H.
What are the key properties of 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride?
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).