1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C12H22N4O2S — CID 114503518

IUPAC1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC1CN(C)CCC1NCC(O)COc1cnsn1
InChIInChI=1S/C12H22N4O2S/c1-9-7-16(2)4-3-11(9)13-5-10(17)8-18-12-6-14-19-15-12/h6,9-11,13,17H,3-5,7-8H2,1-2H3
InChIKeyRQIIPBHIHAANPB-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.21
Rot. Bonds6

About 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 114503518) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID114503518
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC1CN(C)CCC1NCC(O)COc1cnsn1
InChIInChI=1S/C12H22N4O2S/c1-9-7-16(2)4-3-11(9)13-5-10(17)8-18-12-6-14-19-15-12/h6,9-11,13,17H,3-5,7-8H2,1-2H3
InChIKeyRQIIPBHIHAANPB-UHFFFAOYSA-N
XLogP0.21
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60909284
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
CID 104931127
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115716647
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107852038
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 114503518) is 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CC1CN(C)CCC1NCC(O)COc1cnsn1.
What is the InChIKey of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is RQIIPBHIHAANPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-7-16(2)4-3-11(9)13-5-10(17)8-18-12-6-14-19-15-12/h6,9-11,13,17H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 114503518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).