1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol

C17H23N3OS — CID 131897606

IUPAC1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
SMILESCc1nnc(N2CCC(C(O)CCc3ccccc3)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-13-18-19-17(22-13)20-11-9-15(10-12-20)16(21)8-7-14-5-3-2-4-6-14/h2-6,15-16,21H,7-12H2,1H3
InChIKeyZVVHEAYVPLURDJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.06
Rot. Bonds5

About 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol

1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol (PubChem CID 131897606) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
PubChem CID131897606
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
SMILESCc1nnc(N2CCC(C(O)CCc3ccccc3)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-13-18-19-17(22-13)20-11-9-15(10-12-20)16(21)8-7-14-5-3-2-4-6-14/h2-6,15-16,21H,7-12H2,1H3
InChIKeyZVVHEAYVPLURDJ-UHFFFAOYSA-N
XLogP3.06
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135119885
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 154736491
(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97203919
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 139022993
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 133435785
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133451403
2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 135101846

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol (CID 131897606) is 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol is Cc1nnc(N2CCC(C(O)CCc3ccccc3)CC2)s1.
What is the InChIKey of 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
The InChIKey is ZVVHEAYVPLURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13-18-19-17(22-13)20-11-9-15(10-12-20)16(21)8-7-14-5-3-2-4-6-14/h2-6,15-16,21H,7-12H2,1H3.
What are the key properties of 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol?
1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol has a molecular weight of 317.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 131897606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).