(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol

C14H20N4OS — CID 170108070

IUPAC(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESCc1cc([C@@]2(O)C[C@@H](c3cn(C)nn3)N[C@@H](C)C2)cs1
InChIInChI=1S/C14H20N4OS/c1-9-5-14(19,11-4-10(2)20-8-11)6-12(15-9)13-7-18(3)17-16-13/h4,7-9,12,15,19H,5-6H2,1-3H3/t9-,12-,14-/m0/s1
InChIKeyQFVVYRZWAPYRDN-WFBYXXMGSA-N
MW292.41 g/mol
LogP1.89
Rot. Bonds2

About (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol

(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol (PubChem CID 170108070) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
PubChem CID170108070
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESCc1cc([C@@]2(O)C[C@@H](c3cn(C)nn3)N[C@@H](C)C2)cs1
InChIInChI=1S/C14H20N4OS/c1-9-5-14(19,11-4-10(2)20-8-11)6-12(15-9)13-7-18(3)17-16-13/h4,7-9,12,15,19H,5-6H2,1-3H3/t9-,12-,14-/m0/s1
InChIKeyQFVVYRZWAPYRDN-WFBYXXMGSA-N
XLogP1.89
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol (CID 170108070) is (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol is Cc1cc([C@@]2(O)C[C@@H](c3cn(C)nn3)N[C@@H](C)C2)cs1.
What is the InChIKey of (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The InChIKey is QFVVYRZWAPYRDN-WFBYXXMGSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-5-14(19,11-4-10(2)20-8-11)6-12(15-9)13-7-18(3)17-16-13/h4,7-9,12,15,19H,5-6H2,1-3H3/t9-,12-,14-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol?
(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol has a molecular weight of 292.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 170108070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).