3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

C18H30N4O2 — CID 72879267

IUPAC3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCc1cnc(C)c(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1
InChIInChI=1S/C18H30N4O2/c1-14-12-19-15(2)18(20-14)22-6-5-17(16(13-22)4-3-9-23)21-7-10-24-11-8-21/h12,16-17,23H,3-11,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyGCAFXBWFUVNGBQ-SJORKVTESA-N
MW334.46 g/mol
LogP1.39
Rot. Bonds5

About 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (PubChem CID 72879267) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
PubChem CID72879267
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCc1cnc(C)c(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1
InChIInChI=1S/C18H30N4O2/c1-14-12-19-15(2)18(20-14)22-6-5-17(16(13-22)4-3-9-23)21-7-10-24-11-8-21/h12,16-17,23H,3-11,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyGCAFXBWFUVNGBQ-SJORKVTESA-N
XLogP1.39
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (CID 72879267) is 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is Cc1cnc(C)c(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1.
What is the InChIKey of 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The InChIKey is GCAFXBWFUVNGBQ-SJORKVTESA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-12-19-15(2)18(20-14)22-6-5-17(16(13-22)4-3-9-23)21-7-10-24-11-8-21/h12,16-17,23H,3-11,13H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol has a molecular weight of 334.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-1-(3,6-dimethylpyrazin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 72879267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).