4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

C18H30N4O — CID 133322391

IUPAC4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1cc(N2CCCC(CN3CCOCC3)C2)nc(C(C)C)n1
InChIInChI=1S/C18H30N4O/c1-14(2)18-19-15(3)11-17(20-18)22-6-4-5-16(13-22)12-21-7-9-23-10-8-21/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyKGMYHGBCOODBGI-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.46
Rot. Bonds4

About 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 133322391) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
PubChem CID133322391
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1cc(N2CCCC(CN3CCOCC3)C2)nc(C(C)C)n1
InChIInChI=1S/C18H30N4O/c1-14(2)18-19-15(3)11-17(20-18)22-6-4-5-16(13-22)12-21-7-9-23-10-8-21/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyKGMYHGBCOODBGI-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 63390191
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
4-[[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 135091123
methyl 3-methyl-6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 167829544
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 80964876

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (CID 133322391) is 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is Cc1cc(N2CCCC(CN3CCOCC3)C2)nc(C(C)C)n1.
What is the InChIKey of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is KGMYHGBCOODBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)18-19-15(3)11-17(20-18)22-6-4-5-16(13-22)12-21-7-9-23-10-8-21/h11,14,16H,4-10,12-13H2,1-3H3.
What are the key properties of 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 318.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 133322391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).