(3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol

C15H24FN3O2 — CID 155495156

IUPAC(3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2ncnc(CC)c2F)CC[C@@H]1O
InChIInChI=1S/C15H24FN3O2/c1-3-6-15(9-20)8-19(7-5-12(15)21)14-13(16)11(4-2)17-10-18-14/h10,12,20-21H,3-9H2,1-2H3/t12-,15-/m0/s1
InChIKeySRAQZVQFJUWPDV-WFASDCNBSA-N
MW297.37 g/mol
LogP1.53
Rot. Bonds5

About (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol

(3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol (PubChem CID 155495156) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
PubChem CID155495156
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name(3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2ncnc(CC)c2F)CC[C@@H]1O
InChIInChI=1S/C15H24FN3O2/c1-3-6-15(9-20)8-19(7-5-12(15)21)14-13(16)11(4-2)17-10-18-14/h10,12,20-21H,3-9H2,1-2H3/t12-,15-/m0/s1
InChIKeySRAQZVQFJUWPDV-WFASDCNBSA-N
XLogP1.53
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 71906577
(1R*,3S*)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 72904752
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
CID 125139672
(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118056446
(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
CID 121360873
(3S*,4R*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72838621
(3S*,4S*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72845575
trans-(1S,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059008
cis-(1S,2R)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059009
cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059010
trans-(1R,2R)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059011

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol (CID 155495156) is (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol is CCC[C@@]1(CO)CN(c2ncnc(CC)c2F)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The InChIKey is SRAQZVQFJUWPDV-WFASDCNBSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-3-6-15(9-20)8-19(7-5-12(15)21)14-13(16)11(4-2)17-10-18-14/h10,12,20-21H,3-9H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
(3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol has a molecular weight of 297.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol is sourced from PubChem (CID 155495156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).