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

C20H24N4OS — CID 31074699

IUPAC(R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
SMILESCc1ccsc1CN1CCC(n2cc([C@H](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/t20-/m1/s1
InChIKeyDZMVGJNQVHKFMY-HXUWFJFHSA-N
MW368.51 g/mol
LogP3.57
Rot. Bonds5

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

(R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol (PubChem CID 31074699) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
PubChem CID31074699
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name(R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
SMILESCc1ccsc1CN1CCC(n2cc([C@H](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/t20-/m1/s1
InChIKeyDZMVGJNQVHKFMY-HXUWFJFHSA-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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Related Compounds

[5-[3-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]thiophen-2-yl]methanol
CID 70981433
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]phenyl]methanol
CID 89943657
[3-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]phenyl]methanol
CID 89949440
[5-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]thiophen-2-yl]methanol
CID 155522642
1,1,1-trifluoro-2-(1-((2-(1-hydroxyethyl)-3-phenylbenzo[b]thiophen-6-yl)methyl)-1H-1,2,3-triazol-4-yl)butan-2-ol
CID 16068121
[3-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-3-yl]phenyl]methanol
CID 89943696
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-3-yl]phenyl]methanol
CID 89943716
[5-[4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]thiophen-2-yl]methanol
CID 89943860
(3S,4S,6R)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902577
(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol
CID 46902727
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]-2-fluorophenyl]methanol
CID 155523360
(3R,4R,6R)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902510

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The IUPAC name of (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol (CID 31074699) is (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol.
What is the SMILES notation for (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The canonical SMILES for (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol is Cc1ccsc1CN1CCC(n2cc([C@H](O)c3ccccc3)nn2)CC1.
What is the InChIKey of (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The InChIKey is DZMVGJNQVHKFMY-HXUWFJFHSA-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/t20-/m1/s1.
What are the key properties of (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
(R)-[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 (R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol is sourced from PubChem (CID 31074699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).