4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine

C18H29N5O — CID 75422646

IUPAC4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
SMILESc1cc(N2CCCC2)nc(N2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C18H29N5O/c1-2-8-22(7-1)17-5-6-19-18(20-17)23-9-3-4-16(15-23)14-21-10-12-24-13-11-21/h5-6,16H,1-4,7-15H2
InChIKeyKFNRLSGGURAJKK-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.63
Rot. Bonds4

About 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine

4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 75422646) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
PubChem CID75422646
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
SMILESc1cc(N2CCCC2)nc(N2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C18H29N5O/c1-2-8-22(7-1)17-5-6-19-18(20-17)23-9-3-4-16(15-23)14-21-10-12-24-13-11-21/h5-6,16H,1-4,7-15H2
InChIKeyKFNRLSGGURAJKK-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine (CID 75422646) is 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine is c1cc(N2CCCC2)nc(N2CCCC(CN3CCOCC3)C2)n1.
What is the InChIKey of 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is KFNRLSGGURAJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-8-22(7-1)17-5-6-19-18(20-17)23-9-3-4-16(15-23)14-21-10-12-24-13-11-21/h5-6,16H,1-4,7-15H2.
What are the key properties of 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 331.46 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 75422646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).