2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole

C16H21N3OS — CID 118782893

IUPAC2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(OCc3ccccc3)CC2)s1
InChIInChI=1S/C16H21N3OS/c1-13-17-18-16(21-13)11-19-9-7-15(8-10-19)20-12-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3
InChIKeyKXHMSTCIUUELHV-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.03
Rot. Bonds5

About 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole

2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 118782893) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID118782893
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(OCc3ccccc3)CC2)s1
InChIInChI=1S/C16H21N3OS/c1-13-17-18-16(21-13)11-19-9-7-15(8-10-19)20-12-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3
InChIKeyKXHMSTCIUUELHV-UHFFFAOYSA-N
XLogP3.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
2-methyl-5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 118794125
1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
CID 91843602
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118795800
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
CID 56901960
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
CID 13194422
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 55470479
2-[(4-ethylazepan-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
CID 131928480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole (CID 118782893) is 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole is Cc1nnc(CN2CCC(OCc3ccccc3)CC2)s1.
What is the InChIKey of 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is KXHMSTCIUUELHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-13-17-18-16(21-13)11-19-9-7-15(8-10-19)20-12-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3.
What are the key properties of 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole?
2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 303.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 118782893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).