3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol

C18H32N4O — CID 72895556

IUPAC3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
SMILESCCc1c(C)nc(C)nc1N1CC[C@H](N(C)C)[C@H](CCCO)C1
InChIInChI=1S/C18H32N4O/c1-6-16-13(2)19-14(3)20-18(16)22-10-9-17(21(4)5)15(12-22)8-7-11-23/h15,17,23H,6-12H2,1-5H3/t15-,17+/m1/s1
InChIKeyIPCUVNOHTNOXQJ-WBVHZDCISA-N
MW320.48 g/mol
LogP2.18
Rot. Bonds6

About 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol

3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol (PubChem CID 72895556) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
PubChem CID72895556
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol
SMILESCCc1c(C)nc(C)nc1N1CC[C@H](N(C)C)[C@H](CCCO)C1
InChIInChI=1S/C18H32N4O/c1-6-16-13(2)19-14(3)20-18(16)22-10-9-17(21(4)5)15(12-22)8-7-11-23/h15,17,23H,6-12H2,1-5H3/t15-,17+/m1/s1
InChIKeyIPCUVNOHTNOXQJ-WBVHZDCISA-N
XLogP2.18
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol with MolForge

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Related Compounds

3-{(3R*,4S*)-4-(dimethylamino)-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl}propan-1-ol
CID 72920135
[4-[(6-Ethyl-5-fluoropyrimidin-4-yl)-methylamino]cyclohexyl]methanol
CID 133419984
[1-(6-Ethyl-5-fluoropyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol
CID 133421881
3-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol
CID 50951242
(S)-3-(2-Amino-5-(3-aminopropyl)-6-methylpyrimidin-4-ylamino)heptan-1-ol
CID 68416454
3-[[2-Amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol
CID 68953619
3-(4,6-Dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropan-1-ol
CID 90997311
4-[2-[4-[(2-Amino-6-methyl-5-pentylpyrimidin-4-yl)amino]butan-2-ylamino]-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
CID 135273029
N-[(2S)-butan-2-yl]-6-ethyl-2-[(2S)-2-methylhexoxy]-N,5-dipropylpyrimidin-4-amine
CID 153546542
[1'-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-1,4'-bipiperidin-3-yl]methanol
CID 46997524
4-[3-(3-Methoxypropyl)-1-piperidinyl]-5,6-dimethylpyrimidine
CID 70709141
1'-(5-Ethyl-2,6-dimethyl-4-pyrimidinyl)-1,4'-bipiperidin-4-ol
CID 70737976

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol (CID 72895556) is 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol is CCc1c(C)nc(C)nc1N1CC[C@H](N(C)C)[C@H](CCCO)C1.
What is the InChIKey of 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
The InChIKey is IPCUVNOHTNOXQJ-WBVHZDCISA-N. The full InChI is InChI=1S/C18H32N4O/c1-6-16-13(2)19-14(3)20-18(16)22-10-9-17(21(4)5)15(12-22)8-7-11-23/h15,17,23H,6-12H2,1-5H3/t15-,17+/m1/s1.
What are the key properties of 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol?
3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol has a molecular weight of 320.48 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-(dimethylamino)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 72895556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).