1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine

C13H26N2O — CID 135179493

IUPAC1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
SMILESCCN1CCC(CN2CCC(OC)C2)CC1
InChIInChI=1S/C13H26N2O/c1-3-14-7-4-12(5-8-14)10-15-9-6-13(11-15)16-2/h12-13H,3-11H2,1-2H3
InChIKeyUBRRCRNZCBHYGS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.44
Rot. Bonds4

About 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine

1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine (PubChem CID 135179493) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
PubChem CID135179493
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
SMILESCCN1CCC(CN2CCC(OC)C2)CC1
InChIInChI=1S/C13H26N2O/c1-3-14-7-4-12(5-8-14)10-15-9-6-13(11-15)16-2/h12-13H,3-11H2,1-2H3
InChIKeyUBRRCRNZCBHYGS-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine (CID 135179493) is 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine is CCN1CCC(CN2CCC(OC)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
The InChIKey is UBRRCRNZCBHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14-7-4-12(5-8-14)10-15-9-6-13(11-15)16-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine?
1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 135179493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).