4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine

C11H24N2O — CID 115022101

IUPAC4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
SMILESCOCC(CCN)C1CCCN(C)C1
InChIInChI=1S/C11H24N2O/c1-13-7-3-4-10(8-13)11(5-6-12)9-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeySUVRLAIEUQSBTD-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.94
Rot. Bonds5

About 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine

4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine (PubChem CID 115022101) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
PubChem CID115022101
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
SMILESCOCC(CCN)C1CCCN(C)C1
InChIInChI=1S/C11H24N2O/c1-13-7-3-4-10(8-13)11(5-6-12)9-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeySUVRLAIEUQSBTD-UHFFFAOYSA-N
XLogP0.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine?
The IUPAC name of 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine (CID 115022101) is 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine is COCC(CCN)C1CCCN(C)C1.
What is the InChIKey of 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine?
The InChIKey is SUVRLAIEUQSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13-7-3-4-10(8-13)11(5-6-12)9-14-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine?
4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine is sourced from PubChem (CID 115022101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).