(4-methoxy-1-methylpiperidin-3-yl)methanamine

C8H18N2O — CID 89303133

IUPAC(4-methoxy-1-methylpiperidin-3-yl)methanamine
SMILESCOC1CCN(C)CC1CN
InChIInChI=1S/C8H18N2O/c1-10-4-3-8(11-2)7(5-9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyBHBCXISIPWDZOE-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.09
Rot. Bonds2

About (4-methoxy-1-methylpiperidin-3-yl)methanamine

(4-methoxy-1-methylpiperidin-3-yl)methanamine (PubChem CID 89303133) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (4-methoxy-1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpiperidin-3-yl)methanamine
PubChem CID89303133
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(4-methoxy-1-methylpiperidin-3-yl)methanamine
SMILESCOC1CCN(C)CC1CN
InChIInChI=1S/C8H18N2O/c1-10-4-3-8(11-2)7(5-9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKeyBHBCXISIPWDZOE-UHFFFAOYSA-N
XLogP-0.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpiperidin-3-yl)methanamine?
The IUPAC name of (4-methoxy-1-methylpiperidin-3-yl)methanamine (CID 89303133) is (4-methoxy-1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for (4-methoxy-1-methylpiperidin-3-yl)methanamine is COC1CCN(C)CC1CN.
What is the InChIKey of (4-methoxy-1-methylpiperidin-3-yl)methanamine?
The InChIKey is BHBCXISIPWDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-4-3-8(11-2)7(5-9)6-10/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (4-methoxy-1-methylpiperidin-3-yl)methanamine?
(4-methoxy-1-methylpiperidin-3-yl)methanamine has a molecular weight of 158.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 89303133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).