[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol

C13H26N2O2 — CID 79656230

IUPAC[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
SMILESCCOC1CCCN(C2CCC(N)(CO)C2)C1
InChIInChI=1S/C13H26N2O2/c1-2-17-12-4-3-7-15(9-12)11-5-6-13(14,8-11)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyWHEXXIQMBLOKRE-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.73
Rot. Bonds4

About [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol

[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol (PubChem CID 79656230) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
PubChem CID79656230
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
SMILESCCOC1CCCN(C2CCC(N)(CO)C2)C1
InChIInChI=1S/C13H26N2O2/c1-2-17-12-4-3-7-15(9-12)11-5-6-13(14,8-11)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyWHEXXIQMBLOKRE-UHFFFAOYSA-N
XLogP0.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol
CID 79655931
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436
[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
[1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentyl]methanol
CID 79656844
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651259
[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
CID 114196891
[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
CID 113419340
2-(1-aminocyclopentyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 64677827

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol (CID 79656230) is [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol is CCOC1CCCN(C2CCC(N)(CO)C2)C1.
What is the InChIKey of [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol?
The InChIKey is WHEXXIQMBLOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-17-12-4-3-7-15(9-12)11-5-6-13(14,8-11)10-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol?
[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol has a molecular weight of 242.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol is sourced from PubChem (CID 79656230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).