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

C20H24N4OS — CID 45222910

IUPAC[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
SMILESCc1ccsc1CN1CCC(n2cc(C(O)c3ccccc3)nn2)CC1
InChIInChI=1S/C20H24N4OS/c1-15-9-12-26-19(15)14-23-10-7-17(8-11-23)24-13-18(21-22-24)20(25)16-5-3-2-4-6-16/h2-6,9,12-13,17,20,25H,7-8,10-11,14H2,1H3
InChIKeyDZMVGJNQVHKFMY-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.57
Rot. Bonds5

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

[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol (PubChem CID 45222910) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
PubChem CID45222910
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
SMILESCc1ccsc1CN1CCC(n2cc(C(O)c3ccccc3)nn2)CC1
InChIInChI=1S/C20H24N4OS/c1-15-9-12-26-19(15)14-23-10-7-17(8-11-23)24-13-18(21-22-24)20(25)16-5-3-2-4-6-16/h2-6,9,12-13,17,20,25H,7-8,10-11,14H2,1H3
InChIKeyDZMVGJNQVHKFMY-UHFFFAOYSA-N
XLogP3.57
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The IUPAC name of [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol (CID 45222910) is [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The canonical SMILES for [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol is Cc1ccsc1CN1CCC(n2cc(C(O)c3ccccc3)nn2)CC1.
What is the InChIKey of [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The InChIKey is DZMVGJNQVHKFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-9-12-26-19(15)14-23-10-7-17(8-11-23)24-13-18(21-22-24)20(25)16-5-3-2-4-6-16/h2-6,9,12-13,17,20,25H,7-8,10-11,14H2,1H3.
What are the key properties of [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol has a molecular weight of 368.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol is sourced from PubChem (CID 45222910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).