[4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine

C9H20N2O — CID 82229668

IUPAC[4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine
SMILESCOCC1(CN)CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-11-5-3-9(7-10,4-6-11)8-12-2/h3-8,10H2,1-2H3
InChIKeyGPEHVDZBZRAVCV-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds3

About [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine

[4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine (PubChem CID 82229668) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine
PubChem CID82229668
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine
SMILESCOCC1(CN)CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-11-5-3-9(7-10,4-6-11)8-12-2/h3-8,10H2,1-2H3
InChIKeyGPEHVDZBZRAVCV-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine (CID 82229668) is [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine is COCC1(CN)CCN(C)CC1.
What is the InChIKey of [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine?
The InChIKey is GPEHVDZBZRAVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-5-3-9(7-10,4-6-11)8-12-2/h3-8,10H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine?
[4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-1-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 82229668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).