[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine

C16H32N2O — CID 106587463

IUPAC[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine
SMILESCOCC1CCCN(CC2(CN)CCC(C)CC2)C1
InChIInChI=1S/C16H32N2O/c1-14-5-7-16(12-17,8-6-14)13-18-9-3-4-15(10-18)11-19-2/h14-15H,3-13,17H2,1-2H3
InChIKeyFOIZVXNNYSHIRM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.50
Rot. Bonds5

About [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine

[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine (PubChem CID 106587463) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine
PubChem CID106587463
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine
SMILESCOCC1CCCN(CC2(CN)CCC(C)CC2)C1
InChIInChI=1S/C16H32N2O/c1-14-5-7-16(12-17,8-6-14)13-18-9-3-4-15(10-18)11-19-2/h14-15H,3-13,17H2,1-2H3
InChIKeyFOIZVXNNYSHIRM-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine with MolForge

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Related Compounds

[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
CID 106588963
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
CID 106588374
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 103534951
1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
CID 106588972
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
CID 106589001
[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclopropyl]methanamine
CID 115453849
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
3-ethoxy-1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclobutan-1-amine
CID 106587370
1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine (CID 106587463) is [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine is COCC1CCCN(CC2(CN)CCC(C)CC2)C1.
What is the InChIKey of [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is FOIZVXNNYSHIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14-5-7-16(12-17,8-6-14)13-18-9-3-4-15(10-18)11-19-2/h14-15H,3-13,17H2,1-2H3.
What are the key properties of [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine?
[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 106587463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).