2-(2-pentoxyethyl)piperidine;hydrochloride

C12H26ClNO — CID 53408898

IUPAC2-(2-pentoxyethyl)piperidine;hydrochloride
SMILESCCCCCOCCC1CCCCN1.Cl
InChIInChI=1S/C12H25NO.ClH/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12;/h12-13H,2-11H2,1H3;1H
InChIKeyQWPPFDGYXCGERZ-UHFFFAOYSA-N
MW235.80 g/mol
LogP3.15
Rot. Bonds7

About 2-(2-pentoxyethyl)piperidine;hydrochloride

2-(2-pentoxyethyl)piperidine;hydrochloride (PubChem CID 53408898) has the molecular formula C12H26ClNO and a molecular weight of 235.80 g/mol. Its IUPAC name is 2-(2-pentoxyethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(2-pentoxyethyl)piperidine;hydrochloride
PubChem CID53408898
Molecular FormulaC12H26ClNO
Molecular Weight235.80 g/mol
Exact Mass235.17
IUPAC Name2-(2-pentoxyethyl)piperidine;hydrochloride
SMILESCCCCCOCCC1CCCCN1.Cl
InChIInChI=1S/C12H25NO.ClH/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12;/h12-13H,2-11H2,1H3;1H
InChIKeyQWPPFDGYXCGERZ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-octadecoxyethyl)piperidine
CID 140997929
2-tetradecylpiperidine
CID 151771246
2-heptadecylazepane
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2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
CID 62341420
2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
CID 113320298
(2S)-2-hexylpyrrolidine
CID 7047826
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentoxyethyl)piperidine;hydrochloride?
The IUPAC name of 2-(2-pentoxyethyl)piperidine;hydrochloride (CID 53408898) is 2-(2-pentoxyethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(2-pentoxyethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(2-pentoxyethyl)piperidine;hydrochloride is CCCCCOCCC1CCCCN1.Cl.
What is the InChIKey of 2-(2-pentoxyethyl)piperidine;hydrochloride?
The InChIKey is QWPPFDGYXCGERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.ClH/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12;/h12-13H,2-11H2,1H3;1H.
What are the key properties of 2-(2-pentoxyethyl)piperidine;hydrochloride?
2-(2-pentoxyethyl)piperidine;hydrochloride has a molecular weight of 235.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentoxyethyl)piperidine;hydrochloride is sourced from PubChem (CID 53408898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).