[(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

C17H29N5O2 — CID 72850884

IUPAC[(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCN(C)c1cc(N2C[C@@H](CN3CCOCC3)C[C@H](CO)C2)ncn1
InChIInChI=1S/C17H29N5O2/c1-20(2)16-8-17(19-13-18-16)22-10-14(7-15(11-22)12-23)9-21-3-5-24-6-4-21/h8,13-15,23H,3-7,9-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyPSDUMICSELEMSQ-CABCVRRESA-N
MW335.45 g/mol
LogP0.31
Rot. Bonds5

About [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

[(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 72850884) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID72850884
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name[(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCN(C)c1cc(N2C[C@@H](CN3CCOCC3)C[C@H](CO)C2)ncn1
InChIInChI=1S/C17H29N5O2/c1-20(2)16-8-17(19-13-18-16)22-10-14(7-15(11-22)12-23)9-21-3-5-24-6-4-21/h8,13-15,23H,3-7,9-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyPSDUMICSELEMSQ-CABCVRRESA-N
XLogP0.31
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (CID 72850884) is [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is CN(C)c1cc(N2C[C@@H](CN3CCOCC3)C[C@H](CO)C2)ncn1.
What is the InChIKey of [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is PSDUMICSELEMSQ-CABCVRRESA-N. The full InChI is InChI=1S/C17H29N5O2/c1-20(2)16-8-17(19-13-18-16)22-10-14(7-15(11-22)12-23)9-21-3-5-24-6-4-21/h8,13-15,23H,3-7,9-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
[(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 335.45 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72850884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).