4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol

C14H21NO — CID 84786987

IUPAC4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCNCC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-7-13(14(16)8-11(10)2)9-12-3-5-15-6-4-12/h7-8,12,15-16H,3-6,9H2,1-2H3
InChIKeyXJXHIXBBEZYGER-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds2

About 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol

4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol (PubChem CID 84786987) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
PubChem CID84786987
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCNCC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-7-13(14(16)8-11(10)2)9-12-3-5-15-6-4-12/h7-8,12,15-16H,3-6,9H2,1-2H3
InChIKeyXJXHIXBBEZYGER-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386
2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800081
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate
CID 117417249
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol (CID 84786987) is 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol is Cc1cc(O)c(CC2CCNCC2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is XJXHIXBBEZYGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-13(14(16)8-11(10)2)9-12-3-5-15-6-4-12/h7-8,12,15-16H,3-6,9H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol?
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 84786987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).