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

C16H26N4O3 — CID 72876925

IUPAC[(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCOc1cnc(N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)nc1
InChIInChI=1S/C16H26N4O3/c1-22-15-7-17-16(18-8-15)20-10-13(6-14(11-20)12-21)9-19-2-4-23-5-3-19/h7-8,13-14,21H,2-6,9-12H2,1H3/t13-,14-/m1/s1
InChIKeyMNRHGZMXQUYSTB-ZIAGYGMSSA-N
MW322.41 g/mol
LogP0.25
Rot. Bonds5

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

[(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 72876925) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID72876925
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name[(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCOc1cnc(N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)nc1
InChIInChI=1S/C16H26N4O3/c1-22-15-7-17-16(18-8-15)20-10-13(6-14(11-20)12-21)9-19-2-4-23-5-3-19/h7-8,13-14,21H,2-6,9-12H2,1H3/t13-,14-/m1/s1
InChIKeyMNRHGZMXQUYSTB-ZIAGYGMSSA-N
XLogP0.25
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R,5R)-1-(5-methoxypyrimidin-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 [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (CID 72876925) is [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is COc1cnc(N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)nc1.
What is the InChIKey of [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is MNRHGZMXQUYSTB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-22-15-7-17-16(18-8-15)20-10-13(6-14(11-20)12-21)9-19-2-4-23-5-3-19/h7-8,13-14,21H,2-6,9-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
[(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 322.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-(5-methoxypyrimidin-2-yl)-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72876925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).