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

C19H31N5O — CID 46967160

IUPAC4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine
SMILESc1cc(CN2CCCCC2CN2CCOCC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H31N5O/c1-2-10-24(18(5-1)16-22-11-13-25-14-12-22)15-17-6-7-20-19(21-17)23-8-3-4-9-23/h6-7,18H,1-5,8-16H2
InChIKeyZUYJBUISXNMEOL-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.76
Rot. Bonds5

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

4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine (PubChem CID 46967160) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine
PubChem CID46967160
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine
SMILESc1cc(CN2CCCCC2CN2CCOCC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H31N5O/c1-2-10-24(18(5-1)16-22-11-13-25-14-12-22)15-17-6-7-20-19(21-17)23-8-3-4-9-23/h6-7,18H,1-5,8-16H2
InChIKeyZUYJBUISXNMEOL-UHFFFAOYSA-N
XLogP1.76
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51590087
4-[[1-(imidazo[1,2-a]pyrazin-3-ylmethyl)piperidin-2-yl]methyl]morpholine
CID 154751583
4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51614940
N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634221
4-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]morpholine
CID 133309507
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
1-[(1-benzylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 156608186
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 99930489
4-[[1-[(6-methylquinolin-5-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 77083947
4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 125000486

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine (CID 46967160) is 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine is c1cc(CN2CCCCC2CN2CCOCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine?
The InChIKey is ZUYJBUISXNMEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-10-24(18(5-1)16-22-11-13-25-14-12-22)15-17-6-7-20-19(21-17)23-8-3-4-9-23/h6-7,18H,1-5,8-16H2.
What are the key properties of 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine?
4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine has a molecular weight of 345.49 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 46967160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).