propyl 3-(piperidin-4-ylamino)propanoate

C11H22N2O2 — CID 54122825

IUPACpropyl 3-(piperidin-4-ylamino)propanoate
SMILESCCCOC(=O)CCNC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-9-15-11(14)5-8-13-10-3-6-12-7-4-10/h10,12-13H,2-9H2,1H3
InChIKeyHOAOJCVZQRASFH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds6

About propyl 3-(piperidin-4-ylamino)propanoate

propyl 3-(piperidin-4-ylamino)propanoate (PubChem CID 54122825) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is propyl 3-(piperidin-4-ylamino)propanoate.

Molecular Properties

Compound Namepropyl 3-(piperidin-4-ylamino)propanoate
PubChem CID54122825
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepropyl 3-(piperidin-4-ylamino)propanoate
SMILESCCCOC(=O)CCNC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-9-15-11(14)5-8-13-10-3-6-12-7-4-10/h10,12-13H,2-9H2,1H3
InChIKeyHOAOJCVZQRASFH-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(piperidin-4-ylamino)propanoate?
The IUPAC name of propyl 3-(piperidin-4-ylamino)propanoate (CID 54122825) is propyl 3-(piperidin-4-ylamino)propanoate.
What is the SMILES notation for propyl 3-(piperidin-4-ylamino)propanoate?
The canonical SMILES for propyl 3-(piperidin-4-ylamino)propanoate is CCCOC(=O)CCNC1CCNCC1.
What is the InChIKey of propyl 3-(piperidin-4-ylamino)propanoate?
The InChIKey is HOAOJCVZQRASFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-9-15-11(14)5-8-13-10-3-6-12-7-4-10/h10,12-13H,2-9H2,1H3.
What are the key properties of propyl 3-(piperidin-4-ylamino)propanoate?
propyl 3-(piperidin-4-ylamino)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(piperidin-4-ylamino)propanoate is sourced from PubChem (CID 54122825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).