4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine

C16H26N4O2 — CID 164631016

IUPAC4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine
SMILESCOc1ncc(CN2CCC[C@H](CN3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N4O2/c1-21-16-17-9-15(10-18-16)13-20-4-2-3-14(12-20)11-19-5-7-22-8-6-19/h9-10,14H,2-8,11-13H2,1H3/t14-/m1/s1
InChIKeyOPDQRFODTPDKPX-CQSZACIVSA-N
MW306.41 g/mol
LogP1.03
Rot. Bonds5

About 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine

4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine (PubChem CID 164631016) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine
PubChem CID164631016
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine
SMILESCOc1ncc(CN2CCC[C@H](CN3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N4O2/c1-21-16-17-9-15(10-18-16)13-20-4-2-3-14(12-20)11-19-5-7-22-8-6-19/h9-10,14H,2-8,11-13H2,1H3/t14-/m1/s1
InChIKeyOPDQRFODTPDKPX-CQSZACIVSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine (CID 164631016) is 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine is COc1ncc(CN2CCC[C@H](CN3CCOCC3)C2)cn1.
What is the InChIKey of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine?
The InChIKey is OPDQRFODTPDKPX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-21-16-17-9-15(10-18-16)13-20-4-2-3-14(12-20)11-19-5-7-22-8-6-19/h9-10,14H,2-8,11-13H2,1H3/t14-/m1/s1.
What are the key properties of 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine?
4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine has a molecular weight of 306.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 164631016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).