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

C15H25N3O2 — CID 155495165

IUPAC(3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2ncnc(C)c2C)CC[C@@H]1O
InChIInChI=1S/C15H25N3O2/c1-4-6-15(9-19)8-18(7-5-13(15)20)14-11(2)12(3)16-10-17-14/h10,13,19-20H,4-9H2,1-3H3/t13-,15-/m0/s1
InChIKeyAQXDYZIGLBLRHR-ZFWWWQNUSA-N
MW279.38 g/mol
LogP1.44
Rot. Bonds4

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

(3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol (PubChem CID 155495165) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
PubChem CID155495165
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2ncnc(C)c2C)CC[C@@H]1O
InChIInChI=1S/C15H25N3O2/c1-4-6-15(9-19)8-18(7-5-13(15)20)14-11(2)12(3)16-10-17-14/h10,13,19-20H,4-9H2,1-3H3/t13-,15-/m0/s1
InChIKeyAQXDYZIGLBLRHR-ZFWWWQNUSA-N
XLogP1.44
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-methylpyrimidine
CID 164637901
(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118056446
1-(5-Fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 104952904
1-[1-(5-Fluoro-6-methylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 113234216
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133421755
rel-(1R,5R)-7-(6-ethyl-5-fluoro-4-pyrimidinyl)-7-azaspiro[4.5]decan-1-ol formate
CID 135113312
(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol
CID 135114491
5-Fluoro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-6-methylpyrimidine
CID 136546055
[1-[6-(Difluoromethyl)pyrimidin-4-yl]-3-ethylpiperidin-3-yl]methanol
CID 136562407
[3-[(Dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 137336505
rel-(3S,4S)-1-(6-ethyl-5-fluoro-4-pyrimidinyl)-3-(hydroxymethyl)-3-propyl-4-piperidinol
CID 155495156
rel-(3S,4R)-1-(6-ethyl-5-fluoro-4-pyrimidinyl)-4-(hydroxymethyl)-4-propyl-3-piperidinol
CID 155919753

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol (CID 155495165) is (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol is CCC[C@@]1(CO)CN(c2ncnc(C)c2C)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The InChIKey is AQXDYZIGLBLRHR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-6-15(9-19)8-18(7-5-13(15)20)14-11(2)12(3)16-10-17-14/h10,13,19-20H,4-9H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
(3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol has a molecular weight of 279.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol is sourced from PubChem (CID 155495165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).