N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine

C16H30N2O2 — CID 104759668

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCOC1(CNC2CCCC2C2CCCCN2)CCOC1
InChIInChI=1S/C16H30N2O2/c1-19-16(8-10-20-12-16)11-18-15-7-4-5-13(15)14-6-2-3-9-17-14/h13-15,17-18H,2-12H2,1H3
InChIKeyXWZOMPGIZCVVDJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.69
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine (PubChem CID 104759668) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
PubChem CID104759668
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCOC1(CNC2CCCC2C2CCCCN2)CCOC1
InChIInChI=1S/C16H30N2O2/c1-19-16(8-10-20-12-16)11-18-15-7-4-5-13(15)14-6-2-3-9-17-14/h13-15,17-18H,2-12H2,1H3
InChIKeyXWZOMPGIZCVVDJ-UHFFFAOYSA-N
XLogP1.69
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine (CID 104759668) is N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine is COC1(CNC2CCCC2C2CCCCN2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
The InChIKey is XWZOMPGIZCVVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-19-16(8-10-20-12-16)11-18-15-7-4-5-13(15)14-6-2-3-9-17-14/h13-15,17-18H,2-12H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 104759668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).