(4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol

C16H27N3O3 — CID 72934791

IUPAC(4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol
SMILESCOCc1ncc(CN2CC[C@@](O)(COC)C(C)(C)C2)cn1
InChIInChI=1S/C16H27N3O3/c1-15(2)11-19(6-5-16(15,20)12-22-4)9-13-7-17-14(10-21-3)18-8-13/h7-8,20H,5-6,9-12H2,1-4H3/t16-/m1/s1
InChIKeyHFQCQZVCVVSYFG-MRXNPFEDSA-N
MW309.41 g/mol
LogP1.23
Rot. Bonds6

About (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol

(4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol (PubChem CID 72934791) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol
PubChem CID72934791
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol
SMILESCOCc1ncc(CN2CC[C@@](O)(COC)C(C)(C)C2)cn1
InChIInChI=1S/C16H27N3O3/c1-15(2)11-19(6-5-16(15,20)12-22-4)9-13-7-17-14(10-21-3)18-8-13/h7-8,20H,5-6,9-12H2,1-4H3/t16-/m1/s1
InChIKeyHFQCQZVCVVSYFG-MRXNPFEDSA-N
XLogP1.23
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.23
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-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol?
The IUPAC name of (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol (CID 72934791) is (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol is COCc1ncc(CN2CC[C@@](O)(COC)C(C)(C)C2)cn1.
What is the InChIKey of (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol?
The InChIKey is HFQCQZVCVVSYFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-15(2)11-19(6-5-16(15,20)12-22-4)9-13-7-17-14(10-21-3)18-8-13/h7-8,20H,5-6,9-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol?
(4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol has a molecular weight of 309.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 72934791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).