[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone

C16H30N2O2 — CID 115442204

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13-3-7-16(12-17,8-4-13)15(19)18-9-5-14(6-10-18)11-20-2/h13-14H,3-12,17H2,1-2H3
InChIKeyLYVVFMDEURROSC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.03
Rot. Bonds4

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

[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 115442204) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID115442204
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13-3-7-16(12-17,8-4-13)15(19)18-9-5-14(6-10-18)11-20-2/h13-14H,3-12,17H2,1-2H3
InChIKeyLYVVFMDEURROSC-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.03
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-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 115442204) is [1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is LYVVFMDEURROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-3-7-16(12-17,8-4-13)15(19)18-9-5-14(6-10-18)11-20-2/h13-14H,3-12,17H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 282.43 g/mol, XLogP of 2.03, 4 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-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 115442204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).