1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol

C13H26N2O — CID 79588233

IUPAC1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCCCC1
InChIInChI=1S/C13H26N2O/c14-11-13(16)7-4-5-12(13)6-10-15-8-2-1-3-9-15/h12,16H,1-11,14H2
InChIKeyXCYHQBLKHWVKJF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.35
Rot. Bonds4

About 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol

1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol (PubChem CID 79588233) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol
PubChem CID79588233
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCCCC1
InChIInChI=1S/C13H26N2O/c14-11-13(16)7-4-5-12(13)6-10-15-8-2-1-3-9-15/h12,16H,1-11,14H2
InChIKeyXCYHQBLKHWVKJF-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol (CID 79588233) is 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol is NCC1(O)CCCC1CCN1CCCCC1.
What is the InChIKey of 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol?
The InChIKey is XCYHQBLKHWVKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-11-13(16)7-4-5-12(13)6-10-15-8-2-1-3-9-15/h12,16H,1-11,14H2.
What are the key properties of 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol?
1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol is sourced from PubChem (CID 79588233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).