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

C13H26N2O — CID 66273644

IUPAC3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine
SMILESCOCCCN1CCCC1C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-16-10-4-9-15-8-3-6-13(15)12-5-2-7-14-11-12/h12-14H,2-11H2,1H3
InChIKeyKPHMIKDNWFRILJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

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

3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine (PubChem CID 66273644) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine
PubChem CID66273644
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine
SMILESCOCCCN1CCCC1C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-16-10-4-9-15-8-3-6-13(15)12-5-2-7-14-11-12/h12-14H,2-11H2,1H3
InChIKeyKPHMIKDNWFRILJ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine (CID 66273644) is 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine is COCCCN1CCCC1C1CCCNC1.
What is the InChIKey of 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine?
The InChIKey is KPHMIKDNWFRILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-10-4-9-15-8-3-6-13(15)12-5-2-7-14-11-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine?
3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66273644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).