3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine

C13H26N2O — CID 62356152

IUPAC3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine
SMILESC1CNCC(CCOCCN2CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-8-15(7-1)9-11-16-10-5-13-4-3-6-14-12-13/h13-14H,1-12H2
InChIKeyMNWHURZEYCIODU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds6

About 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine

3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine (PubChem CID 62356152) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine
PubChem CID62356152
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine
SMILESC1CNCC(CCOCCN2CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-8-15(7-1)9-11-16-10-5-13-4-3-6-14-12-13/h13-14H,1-12H2
InChIKeyMNWHURZEYCIODU-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
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

2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
1-(3-pyrrolidin-3-ylpropyl)piperidine
CID 54342662
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
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine (CID 62356152) is 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine is C1CNCC(CCOCCN2CCCC2)C1.
What is the InChIKey of 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine?
The InChIKey is MNWHURZEYCIODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-8-15(7-1)9-11-16-10-5-13-4-3-6-14-12-13/h13-14H,1-12H2.
What are the key properties of 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine?
3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine is sourced from PubChem (CID 62356152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).