N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine

C15H30N2O — CID 102968384

IUPACN-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
SMILESCOC1CCCN(C(C)CNC2CCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-13(11-16-14-7-4-3-5-8-14)17-10-6-9-15(12-17)18-2/h13-16H,3-12H2,1-2H3
InChIKeyZJDRGQXKZARRSJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine

N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine (PubChem CID 102968384) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
PubChem CID102968384
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
SMILESCOC1CCCN(C(C)CNC2CCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-13(11-16-14-7-4-3-5-8-14)17-10-6-9-15(12-17)18-2/h13-16H,3-12H2,1-2H3
InChIKeyZJDRGQXKZARRSJ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine?
The IUPAC name of N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine (CID 102968384) is N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine is COC1CCCN(C(C)CNC2CCCCC2)C1.
What is the InChIKey of N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine?
The InChIKey is ZJDRGQXKZARRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(11-16-14-7-4-3-5-8-14)17-10-6-9-15(12-17)18-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine?
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine is sourced from PubChem (CID 102968384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).