(4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol

C17H28N4O3 — CID 72933005

IUPAC(4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2cc(N3CCOCC3)ncn2)CC1(C)C
InChIInChI=1S/C17H28N4O3/c1-16(2)11-21(5-4-17(16,22)12-23-3)15-10-14(18-13-19-15)20-6-8-24-9-7-20/h10,13,22H,4-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyCWZVOAKVYWJOQX-QGZVFWFLSA-N
MW336.44 g/mol
LogP0.93
Rot. Bonds4

About (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol

(4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 72933005) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
PubChem CID72933005
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2cc(N3CCOCC3)ncn2)CC1(C)C
InChIInChI=1S/C17H28N4O3/c1-16(2)11-21(5-4-17(16,22)12-23-3)15-10-14(18-13-19-15)20-6-8-24-9-7-20/h10,13,22H,4-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyCWZVOAKVYWJOQX-QGZVFWFLSA-N
XLogP0.93
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol (CID 72933005) is (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol is COC[C@]1(O)CCN(c2cc(N3CCOCC3)ncn2)CC1(C)C.
What is the InChIKey of (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is CWZVOAKVYWJOQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-16(2)11-21(5-4-17(16,22)12-23-3)15-10-14(18-13-19-15)20-6-8-24-9-7-20/h10,13,22H,4-9,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 336.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-3,3-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 72933005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).