2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol

C16H32N2O2 — CID 106809926

IUPAC2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
SMILESCCC(CO)(CCCN1CCCC(OC)C1)NC1CC1
InChIInChI=1S/C16H32N2O2/c1-3-16(13-19,17-14-7-8-14)9-5-11-18-10-4-6-15(12-18)20-2/h14-15,17,19H,3-13H2,1-2H3
InChIKeyVIZIJJYGEBQZLN-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.77
Rot. Bonds9

About 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol

2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol (PubChem CID 106809926) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
PubChem CID106809926
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
SMILESCCC(CO)(CCCN1CCCC(OC)C1)NC1CC1
InChIInChI=1S/C16H32N2O2/c1-3-16(13-19,17-14-7-8-14)9-5-11-18-10-4-6-15(12-18)20-2/h14-15,17,19H,3-13H2,1-2H3
InChIKeyVIZIJJYGEBQZLN-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol (CID 106809926) is 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol is CCC(CO)(CCCN1CCCC(OC)C1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol?
The InChIKey is VIZIJJYGEBQZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-16(13-19,17-14-7-8-14)9-5-11-18-10-4-6-15(12-18)20-2/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol?
2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol is sourced from PubChem (CID 106809926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).