(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol

C18H30N4O3 — CID 72873601

IUPAC(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCOC[C@]1(O)CCN(Cc2cnc(N3CCOCC3)nc2)CC1(C)C
InChIInChI=1S/C18H30N4O3/c1-17(2)13-21(5-4-18(17,23)14-24-3)12-15-10-19-16(20-11-15)22-6-8-25-9-7-22/h10-11,23H,4-9,12-14H2,1-3H3/t18-/m1/s1
InChIKeyJEGRWPQQOYQACA-GOSISDBHSA-N
MW350.46 g/mol
LogP0.92
Rot. Bonds5

About (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol

(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 72873601) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID72873601
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCOC[C@]1(O)CCN(Cc2cnc(N3CCOCC3)nc2)CC1(C)C
InChIInChI=1S/C18H30N4O3/c1-17(2)13-21(5-4-18(17,23)14-24-3)12-15-10-19-16(20-11-15)22-6-8-25-9-7-22/h10-11,23H,4-9,12-14H2,1-3H3/t18-/m1/s1
InChIKeyJEGRWPQQOYQACA-GOSISDBHSA-N
XLogP0.92
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.92
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-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 72873601) is (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol is COC[C@]1(O)CCN(Cc2cnc(N3CCOCC3)nc2)CC1(C)C.
What is the InChIKey of (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is JEGRWPQQOYQACA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-17(2)13-21(5-4-18(17,23)14-24-3)12-15-10-19-16(20-11-15)22-6-8-25-9-7-22/h10-11,23H,4-9,12-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 350.46 g/mol, XLogP of 0.92, 5 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-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 72873601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).