[(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

C16H26N4O2 — CID 164640002

IUPAC[(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCc1nccnc1N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C16H26N4O2/c1-13-16(18-3-2-17-13)20-10-14(8-15(11-20)12-21)9-19-4-6-22-7-5-19/h2-3,14-15,21H,4-12H2,1H3/t14-,15-/m0/s1
InChIKeyPBRACZPOESGZJS-GJZGRUSLSA-N
MW306.41 g/mol
LogP0.55
Rot. Bonds4

About [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

[(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 164640002) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID164640002
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCc1nccnc1N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C16H26N4O2/c1-13-16(18-3-2-17-13)20-10-14(8-15(11-20)12-21)9-19-4-6-22-7-5-19/h2-3,14-15,21H,4-12H2,1H3/t14-,15-/m0/s1
InChIKeyPBRACZPOESGZJS-GJZGRUSLSA-N
XLogP0.55
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (CID 164640002) is [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is Cc1nccnc1N1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1.
What is the InChIKey of [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is PBRACZPOESGZJS-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-16(18-3-2-17-13)20-10-14(8-15(11-20)12-21)9-19-4-6-22-7-5-19/h2-3,14-15,21H,4-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
[(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 306.41 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-1-(3-methylpyrazin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 164640002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).