4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol

C13H26N2O2 — CID 62222032

IUPAC4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol
SMILESCCN(CC1CCCO1)CC1(O)CCNCC1
InChIInChI=1S/C13H26N2O2/c1-2-15(10-12-4-3-9-17-12)11-13(16)5-7-14-8-6-13/h12,14,16H,2-11H2,1H3
InChIKeyGMYBOLPDAKUAMR-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds5

About 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol

4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol (PubChem CID 62222032) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol
PubChem CID62222032
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol
SMILESCCN(CC1CCCO1)CC1(O)CCNCC1
InChIInChI=1S/C13H26N2O2/c1-2-15(10-12-4-3-9-17-12)11-13(16)5-7-14-8-6-13/h12,14,16H,2-11H2,1H3
InChIKeyGMYBOLPDAKUAMR-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol (CID 62222032) is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol is CCN(CC1CCCO1)CC1(O)CCNCC1.
What is the InChIKey of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol?
The InChIKey is GMYBOLPDAKUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-15(10-12-4-3-9-17-12)11-13(16)5-7-14-8-6-13/h12,14,16H,2-11H2,1H3.
What are the key properties of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol?
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 62222032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).