4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine

C13H27N2O+ — CID 165137278

IUPAC4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine
SMILESCCOC1CCN(CC2CC[NH2+]CC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-16-13-5-9-15(10-6-13)11-12-3-7-14-8-4-12/h12-14H,2-11H2,1H3/p+1
InChIKeyOAUJPAYUYPWFMG-UHFFFAOYSA-O
MW227.37 g/mol
LogP0.46
Rot. Bonds4

About 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine

4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine (PubChem CID 165137278) has the molecular formula C13H27N2O+ and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine
PubChem CID165137278
Molecular FormulaC13H27N2O+
Molecular Weight227.37 g/mol
Exact Mass227.21
IUPAC Name4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine
SMILESCCOC1CCN(CC2CC[NH2+]CC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-16-13-5-9-15(10-6-13)11-12-3-7-14-8-4-12/h12-14H,2-11H2,1H3/p+1
InChIKeyOAUJPAYUYPWFMG-UHFFFAOYSA-O
XLogP0.46
TPSA29.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine?
The IUPAC name of 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine (CID 165137278) is 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine.
What is the SMILES notation for 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine?
The canonical SMILES for 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine is CCOC1CCN(CC2CC[NH2+]CC2)CC1.
What is the InChIKey of 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine?
The InChIKey is OAUJPAYUYPWFMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H26N2O/c1-2-16-13-5-9-15(10-6-13)11-12-3-7-14-8-4-12/h12-14H,2-11H2,1H3/p+1.
What are the key properties of 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine?
4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine has a molecular weight of 227.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine is sourced from PubChem (CID 165137278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).