3-(4-methoxypiperidin-1-yl)propan-1-amine

C9H20N2O — CID 43372633

IUPAC3-(4-methoxypiperidin-1-yl)propan-1-amine
SMILESCOC1CCN(CCCN)CC1
InChIInChI=1S/C9H20N2O/c1-12-9-3-7-11(8-4-9)6-2-5-10/h9H,2-8,10H2,1H3
InChIKeyYFZWSDSTNIUBSY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.45
Rot. Bonds4

About 3-(4-methoxypiperidin-1-yl)propan-1-amine

3-(4-methoxypiperidin-1-yl)propan-1-amine (PubChem CID 43372633) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)propan-1-amine
PubChem CID43372633
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(4-methoxypiperidin-1-yl)propan-1-amine
SMILESCOC1CCN(CCCN)CC1
InChIInChI=1S/C9H20N2O/c1-12-9-3-7-11(8-4-9)6-2-5-10/h9H,2-8,10H2,1H3
InChIKeyYFZWSDSTNIUBSY-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)propan-1-amine (CID 43372633) is 3-(4-methoxypiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)propan-1-amine is COC1CCN(CCCN)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)propan-1-amine?
The InChIKey is YFZWSDSTNIUBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-9-3-7-11(8-4-9)6-2-5-10/h9H,2-8,10H2,1H3.
What are the key properties of 3-(4-methoxypiperidin-1-yl)propan-1-amine?
3-(4-methoxypiperidin-1-yl)propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 43372633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).