4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol

C14H26N2O2 — CID 79136018

IUPAC4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CC3CCC2O3)CC1
InChIInChI=1S/C14H26N2O2/c1-2-16-7-5-14(17,6-8-16)13(10-15)9-11-3-4-12(13)18-11/h11-12,17H,2-10,15H2,1H3
InChIKeyAEBDMMAXPXFMJZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.73
Rot. Bonds3

About 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol

4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol (PubChem CID 79136018) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol
PubChem CID79136018
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CC3CCC2O3)CC1
InChIInChI=1S/C14H26N2O2/c1-2-16-7-5-14(17,6-8-16)13(10-15)9-11-3-4-12(13)18-11/h11-12,17H,2-10,15H2,1H3
InChIKeyAEBDMMAXPXFMJZ-UHFFFAOYSA-N
XLogP0.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol
CID 79134850
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol
CID 79126049
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125223
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
CID 79135740
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol
CID 112740432
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroinden-1-ol
CID 79127706
3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-ol
CID 79126659
4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
CID 79123962
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
4-(aminomethyl)-N-cyclopropyl-1-ethyl-N-methylpiperidin-4-amine
CID 43264813
4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
CID 103715931
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol
CID 79123715

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol (CID 79136018) is 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(C2(CN)CC3CCC2O3)CC1.
What is the InChIKey of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol?
The InChIKey is AEBDMMAXPXFMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-16-7-5-14(17,6-8-16)13(10-15)9-11-3-4-12(13)18-11/h11-12,17H,2-10,15H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol?
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol has a molecular weight of 254.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 79136018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).