3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol

C16H26N4O2 — CID 72939816

IUPAC3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol
SMILESOCCC[C@@H]1CN(c2ncccn2)CC[C@@H]1N1CCOCC1
InChIInChI=1S/C16H26N4O2/c21-10-1-3-14-13-20(16-17-5-2-6-18-16)7-4-15(14)19-8-11-22-12-9-19/h2,5-6,14-15,21H,1,3-4,7-13H2/t14-,15+/m1/s1
InChIKeyRLUHYUAIVRIFJS-CABCVRRESA-N
MW306.41 g/mol
LogP0.78
Rot. Bonds5

About 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol

3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol (PubChem CID 72939816) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol
PubChem CID72939816
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol
SMILESOCCC[C@@H]1CN(c2ncccn2)CC[C@@H]1N1CCOCC1
InChIInChI=1S/C16H26N4O2/c21-10-1-3-14-13-20(16-17-5-2-6-18-16)7-4-15(14)19-8-11-22-12-9-19/h2,5-6,14-15,21H,1,3-4,7-13H2/t14-,15+/m1/s1
InChIKeyRLUHYUAIVRIFJS-CABCVRRESA-N
XLogP0.78
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol with MolForge

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Related Compounds

(4aR*,6R*,8aS*)-8a-(methoxymethyl)-6-morpholin-4-yl-2-pyrimidin-2-yldecahydroisoquinoline
CID 72869677
(3-(Cyclopropylmethyl)-1-{[2-(4-morpholinyl)-5-pyrimidinyl]methyl}-3-piperidinyl)methanol
CID 72907270
3-[(3R*,4S*)-1-(5-isopropylpyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
CID 72920254
9-(Cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450991
2-(8-Pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol
CID 118739115
4-[[4-(Pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
CID 118739974
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746091
2-(Oxan-4-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746140
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
[(3S*,5R*)-1-[6-(dimethylamino)-4-pyrimidinyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72850884
2-[4-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]piperazin-1-yl]pyrimidine
CID 96390110
3-(Cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131651894

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol (CID 72939816) is 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol is OCCC[C@@H]1CN(c2ncccn2)CC[C@@H]1N1CCOCC1.
What is the InChIKey of 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol?
The InChIKey is RLUHYUAIVRIFJS-CABCVRRESA-N. The full InChI is InChI=1S/C16H26N4O2/c21-10-1-3-14-13-20(16-17-5-2-6-18-16)7-4-15(14)19-8-11-22-12-9-19/h2,5-6,14-15,21H,1,3-4,7-13H2/t14-,15+/m1/s1.
What are the key properties of 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol?
3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 72939816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).