3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine

C14H28N2O — CID 66271295

IUPAC3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine
SMILESCCOCCCN1CCCC1C1CCCNC1
InChIInChI=1S/C14H28N2O/c1-2-17-11-5-10-16-9-4-7-14(16)13-6-3-8-15-12-13/h13-15H,2-12H2,1H3
InChIKeyYGGJGEXDYLUDAA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine

3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine (PubChem CID 66271295) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine
PubChem CID66271295
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine
SMILESCCOCCCN1CCCC1C1CCCNC1
InChIInChI=1S/C14H28N2O/c1-2-17-11-5-10-16-9-4-7-14(16)13-6-3-8-15-12-13/h13-15H,2-12H2,1H3
InChIKeyYGGJGEXDYLUDAA-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine (CID 66271295) is 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine is CCOCCCN1CCCC1C1CCCNC1.
What is the InChIKey of 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine?
The InChIKey is YGGJGEXDYLUDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-17-11-5-10-16-9-4-7-14(16)13-6-3-8-15-12-13/h13-15H,2-12H2,1H3.
What are the key properties of 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine?
3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66271295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).