4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

C15H23ClN4O — CID 133302102

IUPAC4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1nc(Cl)cc(N2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C15H23ClN4O/c1-12-17-14(16)9-15(18-12)20-4-2-3-13(11-20)10-19-5-7-21-8-6-19/h9,13H,2-8,10-11H2,1H3
InChIKeyIHWDVVSHTXNXBW-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.99
Rot. Bonds3

About 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 133302102) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
PubChem CID133302102
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1nc(Cl)cc(N2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C15H23ClN4O/c1-12-17-14(16)9-15(18-12)20-4-2-3-13(11-20)10-19-5-7-21-8-6-19/h9,13H,2-8,10-11H2,1H3
InChIKeyIHWDVVSHTXNXBW-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322391
4-[[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 135091123
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
methyl 3-methyl-6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 167829544

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (CID 133302102) is 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is Cc1nc(Cl)cc(N2CCCC(CN3CCOCC3)C2)n1.
What is the InChIKey of 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is IHWDVVSHTXNXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-12-17-14(16)9-15(18-12)20-4-2-3-13(11-20)10-19-5-7-21-8-6-19/h9,13H,2-8,10-11H2,1H3.
What are the key properties of 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 310.83 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 133302102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).