(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol

C15H23NO — CID 11879284

IUPAC(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1
InChIInChI=1S/C15H23NO/c1-11-5-7-14(8-6-11)15(17)9-13(3)16(4)10-12(15)2/h5-8,12-13,17H,9-10H2,1-4H3/t12-,13-,15-/m0/s1
InChIKeyCFZMSXAIXMGEAH-YDHLFZDLSA-N
MW233.36 g/mol
LogP2.54
Rot. Bonds1

About (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol

(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol (PubChem CID 11879284) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol
PubChem CID11879284
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1
InChIInChI=1S/C15H23NO/c1-11-5-7-14(8-6-11)15(17)9-13(3)16(4)10-12(15)2/h5-8,12-13,17H,9-10H2,1-4H3/t12-,13-,15-/m0/s1
InChIKeyCFZMSXAIXMGEAH-YDHLFZDLSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol?
The IUPAC name of (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol (CID 11879284) is (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol.
What is the SMILES notation for (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol?
The canonical SMILES for (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol is Cc1ccc([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1.
What is the InChIKey of (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol?
The InChIKey is CFZMSXAIXMGEAH-YDHLFZDLSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-7-14(8-6-11)15(17)9-13(3)16(4)10-12(15)2/h5-8,12-13,17H,9-10H2,1-4H3/t12-,13-,15-/m0/s1.
What are the key properties of (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol?
(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol has a molecular weight of 233.36 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 11879284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).