(1-propylpiperidin-4-yl) 3-aminopropanoate

C11H22N2O2 — CID 70927210

IUPAC(1-propylpiperidin-4-yl) 3-aminopropanoate
SMILESCCCN1CCC(OC(=O)CCN)CC1
InChIInChI=1S/C11H22N2O2/c1-2-7-13-8-4-10(5-9-13)15-11(14)3-6-12/h10H,2-9,12H2,1H3
InChIKeyILXCXWSLYUJRIP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About (1-propylpiperidin-4-yl) 3-aminopropanoate

(1-propylpiperidin-4-yl) 3-aminopropanoate (PubChem CID 70927210) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1-propylpiperidin-4-yl) 3-aminopropanoate.

Molecular Properties

Compound Name(1-propylpiperidin-4-yl) 3-aminopropanoate
PubChem CID70927210
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(1-propylpiperidin-4-yl) 3-aminopropanoate
SMILESCCCN1CCC(OC(=O)CCN)CC1
InChIInChI=1S/C11H22N2O2/c1-2-7-13-8-4-10(5-9-13)15-11(14)3-6-12/h10H,2-9,12H2,1H3
InChIKeyILXCXWSLYUJRIP-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propylpiperidin-4-yl) 3-aminopropanoate?
The IUPAC name of (1-propylpiperidin-4-yl) 3-aminopropanoate (CID 70927210) is (1-propylpiperidin-4-yl) 3-aminopropanoate.
What is the SMILES notation for (1-propylpiperidin-4-yl) 3-aminopropanoate?
The canonical SMILES for (1-propylpiperidin-4-yl) 3-aminopropanoate is CCCN1CCC(OC(=O)CCN)CC1.
What is the InChIKey of (1-propylpiperidin-4-yl) 3-aminopropanoate?
The InChIKey is ILXCXWSLYUJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-7-13-8-4-10(5-9-13)15-11(14)3-6-12/h10H,2-9,12H2,1H3.
What are the key properties of (1-propylpiperidin-4-yl) 3-aminopropanoate?
(1-propylpiperidin-4-yl) 3-aminopropanoate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpiperidin-4-yl) 3-aminopropanoate is sourced from PubChem (CID 70927210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).