[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine

C14H28N2O — CID 43372747

IUPAC[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
SMILESCOC1CCN(C2(CN)CCCCC2C)CC1
InChIInChI=1S/C14H28N2O/c1-12-5-3-4-8-14(12,11-15)16-9-6-13(17-2)7-10-16/h12-13H,3-11,15H2,1-2H3
InChIKeyXJSYQIDRUAJWIR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds3

About [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine

[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine (PubChem CID 43372747) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
PubChem CID43372747
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
SMILESCOC1CCN(C2(CN)CCCCC2C)CC1
InChIInChI=1S/C14H28N2O/c1-12-5-3-4-8-14(12,11-15)16-9-6-13(17-2)7-10-16/h12-13H,3-11,15H2,1-2H3
InChIKeyXJSYQIDRUAJWIR-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine?
The IUPAC name of [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine (CID 43372747) is [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine is COC1CCN(C2(CN)CCCCC2C)CC1.
What is the InChIKey of [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine?
The InChIKey is XJSYQIDRUAJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-5-3-4-8-14(12,11-15)16-9-6-13(17-2)7-10-16/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine?
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine is sourced from PubChem (CID 43372747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).