(4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol

C14H23N3O3 — CID 70729801

IUPAC(4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2cc(OC)ncn2)CC1(C)C
InChIInChI=1S/C14H23N3O3/c1-13(2)8-17(6-5-14(13,18)9-19-3)11-7-12(20-4)16-10-15-11/h7,10,18H,5-6,8-9H2,1-4H3/t14-/m1/s1
InChIKeyGAMFSHHLPOWGEX-CQSZACIVSA-N
MW281.36 g/mol
LogP1.10
Rot. Bonds4

About (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol

(4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol (PubChem CID 70729801) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol
PubChem CID70729801
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2cc(OC)ncn2)CC1(C)C
InChIInChI=1S/C14H23N3O3/c1-13(2)8-17(6-5-14(13,18)9-19-3)11-7-12(20-4)16-10-15-11/h7,10,18H,5-6,8-9H2,1-4H3/t14-/m1/s1
InChIKeyGAMFSHHLPOWGEX-CQSZACIVSA-N
XLogP1.10
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol (CID 70729801) is (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol is COC[C@]1(O)CCN(c2cc(OC)ncn2)CC1(C)C.
What is the InChIKey of (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is GAMFSHHLPOWGEX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2)8-17(6-5-14(13,18)9-19-3)11-7-12(20-4)16-10-15-11/h7,10,18H,5-6,8-9H2,1-4H3/t14-/m1/s1.
What are the key properties of (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol?
(4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 281.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 70729801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).