3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol

C19H32N4O2 — CID 72920254

IUPAC3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
SMILESCC(C)c1cncnc1N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1
InChIInChI=1S/C19H32N4O2/c1-15(2)17-12-20-14-21-19(17)23-6-5-18(16(13-23)4-3-9-24)22-7-10-25-11-8-22/h12,14-16,18,24H,3-11,13H2,1-2H3/t16-,18+/m1/s1
InChIKeyROALOXROLLTUCN-AEFFLSMTSA-N
MW348.49 g/mol
LogP1.90
Rot. Bonds6

About 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol

3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol (PubChem CID 72920254) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
PubChem CID72920254
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
SMILESCC(C)c1cncnc1N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1
InChIInChI=1S/C19H32N4O2/c1-15(2)17-12-20-14-21-19(17)23-6-5-18(16(13-23)4-3-9-24)22-7-10-25-11-8-22/h12,14-16,18,24H,3-11,13H2,1-2H3/t16-,18+/m1/s1
InChIKeyROALOXROLLTUCN-AEFFLSMTSA-N
XLogP1.90
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol (CID 72920254) is 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol is CC(C)c1cncnc1N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1.
What is the InChIKey of 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
The InChIKey is ROALOXROLLTUCN-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15(2)17-12-20-14-21-19(17)23-6-5-18(16(13-23)4-3-9-24)22-7-10-25-11-8-22/h12,14-16,18,24H,3-11,13H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol has a molecular weight of 348.49 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-morpholin-4-yl-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 72920254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).