(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol

C16H22N4O2 — CID 170108183

IUPAC(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESCc1ccc([C@@]2(O)C[C@@H](c3cn(C)nn3)N[C@@H](C)C2)c(O)c1
InChIInChI=1S/C16H22N4O2/c1-10-4-5-12(15(21)6-10)16(22)7-11(2)17-13(8-16)14-9-20(3)19-18-14/h4-6,9,11,13,17,21-22H,7-8H2,1-3H3/t11-,13-,16-/m0/s1
InChIKeySFILLRCNUNQVSQ-RBOXIYTFSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds2

About (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol

(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol (PubChem CID 170108183) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
PubChem CID170108183
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESCc1ccc([C@@]2(O)C[C@@H](c3cn(C)nn3)N[C@@H](C)C2)c(O)c1
InChIInChI=1S/C16H22N4O2/c1-10-4-5-12(15(21)6-10)16(22)7-11(2)17-13(8-16)14-9-20(3)19-18-14/h4-6,9,11,13,17,21-22H,7-8H2,1-3H3/t11-,13-,16-/m0/s1
InChIKeySFILLRCNUNQVSQ-RBOXIYTFSA-N
XLogP1.53
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol (CID 170108183) is (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol is Cc1ccc([C@@]2(O)C[C@@H](c3cn(C)nn3)N[C@@H](C)C2)c(O)c1.
What is the InChIKey of (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The InChIKey is SFILLRCNUNQVSQ-RBOXIYTFSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-4-5-12(15(21)6-10)16(22)7-11(2)17-13(8-16)14-9-20(3)19-18-14/h4-6,9,11,13,17,21-22H,7-8H2,1-3H3/t11-,13-,16-/m0/s1.
What are the key properties of (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol has a molecular weight of 302.38 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 170108183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).