(3R,4S)-4-methoxy-1-methylpiperidin-3-amine

C7H16N2O — CID 96636583

IUPAC(3R,4S)-4-methoxy-1-methylpiperidin-3-amine
SMILESCO[C@H]1CCN(C)C[C@H]1N
InChIInChI=1S/C7H16N2O/c1-9-4-3-7(10-2)6(8)5-9/h6-7H,3-5,8H2,1-2H3/t6-,7+/m1/s1
InChIKeyQWPITXFVCWSRFL-RQJHMYQMSA-N
MW144.22 g/mol
LogP-0.34
Rot. Bonds1

About (3R,4S)-4-methoxy-1-methylpiperidin-3-amine

(3R,4S)-4-methoxy-1-methylpiperidin-3-amine (PubChem CID 96636583) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3R,4S)-4-methoxy-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-methoxy-1-methylpiperidin-3-amine
PubChem CID96636583
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3R,4S)-4-methoxy-1-methylpiperidin-3-amine
SMILESCO[C@H]1CCN(C)C[C@H]1N
InChIInChI=1S/C7H16N2O/c1-9-4-3-7(10-2)6(8)5-9/h6-7H,3-5,8H2,1-2H3/t6-,7+/m1/s1
InChIKeyQWPITXFVCWSRFL-RQJHMYQMSA-N
XLogP-0.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methoxy-1-methylpiperidin-3-amine?
The IUPAC name of (3R,4S)-4-methoxy-1-methylpiperidin-3-amine (CID 96636583) is (3R,4S)-4-methoxy-1-methylpiperidin-3-amine.
What is the SMILES notation for (3R,4S)-4-methoxy-1-methylpiperidin-3-amine?
The canonical SMILES for (3R,4S)-4-methoxy-1-methylpiperidin-3-amine is CO[C@H]1CCN(C)C[C@H]1N.
What is the InChIKey of (3R,4S)-4-methoxy-1-methylpiperidin-3-amine?
The InChIKey is QWPITXFVCWSRFL-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-4-3-7(10-2)6(8)5-9/h6-7H,3-5,8H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-4-methoxy-1-methylpiperidin-3-amine?
(3R,4S)-4-methoxy-1-methylpiperidin-3-amine has a molecular weight of 144.22 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methoxy-1-methylpiperidin-3-amine is sourced from PubChem (CID 96636583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).