1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

C16H24N4OS — CID 45190479

IUPAC1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccsc1CN1CCC(Cn2cc(C(C)O)nn2)CC1
InChIInChI=1S/C16H24N4OS/c1-12-5-8-22-16(12)11-19-6-3-14(4-7-19)9-20-10-15(13(2)21)17-18-20/h5,8,10,13-14,21H,3-4,6-7,9,11H2,1-2H3
InChIKeyCNTOJYGOPPMGQN-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.61
Rot. Bonds5

About 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 45190479) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID45190479
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccsc1CN1CCC(Cn2cc(C(C)O)nn2)CC1
InChIInChI=1S/C16H24N4OS/c1-12-5-8-22-16(12)11-19-6-3-14(4-7-19)9-20-10-15(13(2)21)17-18-20/h5,8,10,13-14,21H,3-4,6-7,9,11H2,1-2H3
InChIKeyCNTOJYGOPPMGQN-UHFFFAOYSA-N
XLogP2.61
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol with MolForge

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Related Compounds

(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45191246
(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739233
(1R)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739230
1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886114
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154885624
[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987
1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine
CID 121183681
[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 45220142
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45236299
(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274120
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 45190479) is 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is Cc1ccsc1CN1CCC(Cn2cc(C(C)O)nn2)CC1.
What is the InChIKey of 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is CNTOJYGOPPMGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12-5-8-22-16(12)11-19-6-3-14(4-7-19)9-20-10-15(13(2)21)17-18-20/h5,8,10,13-14,21H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 320.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 45190479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).