3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine

C13H21N3O — CID 141049099

IUPAC3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine
SMILESc1c[nH]c(N2CCOCC2N2CCCCC2)c1
InChIInChI=1S/C13H21N3O/c1-2-7-15(8-3-1)13-11-17-10-9-16(13)12-5-4-6-14-12/h4-6,13-14H,1-3,7-11H2
InChIKeyDTAWJLUIHHXEDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds2

About 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine

3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine (PubChem CID 141049099) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine.

Molecular Properties

Compound Name3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine
PubChem CID141049099
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine
SMILESc1c[nH]c(N2CCOCC2N2CCCCC2)c1
InChIInChI=1S/C13H21N3O/c1-2-7-15(8-3-1)13-11-17-10-9-16(13)12-5-4-6-14-12/h4-6,13-14H,1-3,7-11H2
InChIKeyDTAWJLUIHHXEDQ-UHFFFAOYSA-N
XLogP1.66
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine?
The IUPAC name of 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine (CID 141049099) is 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine.
What is the SMILES notation for 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine?
The canonical SMILES for 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine is c1c[nH]c(N2CCOCC2N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine?
The InChIKey is DTAWJLUIHHXEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-7-15(8-3-1)13-11-17-10-9-16(13)12-5-4-6-14-12/h4-6,13-14H,1-3,7-11H2.
What are the key properties of 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine?
3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine has a molecular weight of 235.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-4-(1H-pyrrol-2-yl)morpholine is sourced from PubChem (CID 141049099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).