[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone

C15H28N2O2 — CID 115441480

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-3-7-15(11-16,8-4-12)14(18)17-9-5-13(19-2)6-10-17/h12-13H,3-11,16H2,1-2H3
InChIKeyVGBOJPNMVNNKLE-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 115441480) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID115441480
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-3-7-15(11-16,8-4-12)14(18)17-9-5-13(19-2)6-10-17/h12-13H,3-11,16H2,1-2H3
InChIKeyVGBOJPNMVNNKLE-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone (CID 115441480) is [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is VGBOJPNMVNNKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-3-7-15(11-16,8-4-12)14(18)17-9-5-13(19-2)6-10-17/h12-13H,3-11,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 115441480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).