(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol

C14H23N3O3 — CID 155506237

IUPAC(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2nccc(OC)n2)CC[C@@H]1O
InChIInChI=1S/C14H23N3O3/c1-3-6-14(10-18)9-17(8-5-11(14)19)13-15-7-4-12(16-13)20-2/h4,7,11,18-19H,3,5-6,8-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyDEHUFWTZZMRTRQ-FZMZJTMJSA-N
MW281.36 g/mol
LogP0.83
Rot. Bonds5

About (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol

(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol (PubChem CID 155506237) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol
PubChem CID155506237
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2nccc(OC)n2)CC[C@@H]1O
InChIInChI=1S/C14H23N3O3/c1-3-6-14(10-18)9-17(8-5-11(14)19)13-15-7-4-12(16-13)20-2/h4,7,11,18-19H,3,5-6,8-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyDEHUFWTZZMRTRQ-FZMZJTMJSA-N
XLogP0.83
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol with MolForge

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
(3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155492860
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
CID 75511384
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
(3S,4R)-3-(hydroxymethyl)-3-(3-methoxypropyl)-1-(5-propylpyrimidin-2-yl)piperidin-4-ol
CID 155503908
(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol
CID 155496224
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
CID 82994740
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol (CID 155506237) is (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol is CCC[C@@]1(CO)CN(c2nccc(OC)n2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol?
The InChIKey is DEHUFWTZZMRTRQ-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-6-14(10-18)9-17(8-5-11(14)19)13-15-7-4-12(16-13)20-2/h4,7,11,18-19H,3,5-6,8-10H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol?
(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol has a molecular weight of 281.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol is sourced from PubChem (CID 155506237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).