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

C14H28N2O — CID 62341420

IUPAC2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
SMILESC1CCC(CCOCCCN2CCCC2)NC1
InChIInChI=1S/C14H28N2O/c1-2-8-15-14(6-1)7-13-17-12-5-11-16-9-3-4-10-16/h14-15H,1-13H2
InChIKeyOQCNAYYYLVBERE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds7

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

2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine (PubChem CID 62341420) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
PubChem CID62341420
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
SMILESC1CCC(CCOCCCN2CCCC2)NC1
InChIInChI=1S/C14H28N2O/c1-2-8-15-14(6-1)7-13-17-12-5-11-16-9-3-4-10-16/h14-15H,1-13H2
InChIKeyOQCNAYYYLVBERE-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
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

1-(4-piperidin-2-ylbutyl)piperidine
CID 15057319
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
4-ethyl-1-(3-propoxypropyl)-1,5-diazocane
CID 82947156
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine
CID 62342583
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine
CID 62342019
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine (CID 62341420) is 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine is C1CCC(CCOCCCN2CCCC2)NC1.
What is the InChIKey of 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine?
The InChIKey is OQCNAYYYLVBERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-8-15-14(6-1)7-13-17-12-5-11-16-9-3-4-10-16/h14-15H,1-13H2.
What are the key properties of 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine?
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine is sourced from PubChem (CID 62341420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).