4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol

C13H26N2O2 — CID 103715931

IUPAC4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CCCOC2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-15-7-5-13(16,6-8-15)12(10-14)4-3-9-17-11-12/h16H,2-11,14H2,1H3
InChIKeyCEOVHDZUFMMQRR-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.59
Rot. Bonds3

About 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol

4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol (PubChem CID 103715931) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
PubChem CID103715931
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CCCOC2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-15-7-5-13(16,6-8-15)12(10-14)4-3-9-17-11-12/h16H,2-11,14H2,1H3
InChIKeyCEOVHDZUFMMQRR-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
CID 79126100
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
CID 79135740
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291
4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
CID 79123962
3-(1-ethyl-4-hydroxyazepan-4-yl)oxane-3-carbonitrile
CID 103715853
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
CID 79125941
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741871
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol (CID 103715931) is 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(C2(CN)CCCOC2)CC1.
What is the InChIKey of 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol?
The InChIKey is CEOVHDZUFMMQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-15-7-5-13(16,6-8-15)12(10-14)4-3-9-17-11-12/h16H,2-11,14H2,1H3.
What are the key properties of 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol?
4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol has a molecular weight of 242.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 103715931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).