3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol

C16H25NO — CID 113343970

IUPAC3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
SMILESCc1cc(C)c(CN2CCCC(C)(O)C2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)15(14(3)9-12)10-17-7-5-6-16(4,18)11-17/h8-9,18H,5-7,10-11H2,1-4H3
InChIKeyRLMQXYVXJTWDPK-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.96
Rot. Bonds2

About 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol

3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol (PubChem CID 113343970) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
PubChem CID113343970
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
SMILESCc1cc(C)c(CN2CCCC(C)(O)C2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)15(14(3)9-12)10-17-7-5-6-16(4,18)11-17/h8-9,18H,5-7,10-11H2,1-4H3
InChIKeyRLMQXYVXJTWDPK-UHFFFAOYSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol (CID 113343970) is 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol is Cc1cc(C)c(CN2CCCC(C)(O)C2)c(C)c1.
What is the InChIKey of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol?
The InChIKey is RLMQXYVXJTWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-13(2)15(14(3)9-12)10-17-7-5-6-16(4,18)11-17/h8-9,18H,5-7,10-11H2,1-4H3.
What are the key properties of 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol?
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol has a molecular weight of 247.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 113343970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).