2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol

C13H19NO2 — CID 84787993

IUPAC2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
SMILESCc1c(O)ccc(CC2CCNCC2)c1O
InChIInChI=1S/C13H19NO2/c1-9-12(15)3-2-11(13(9)16)8-10-4-6-14-7-5-10/h2-3,10,14-16H,4-8H2,1H3
InChIKeyWULIUZMKGTXBPQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.95
Rot. Bonds2

About 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol

2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol (PubChem CID 84787993) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
PubChem CID84787993
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
SMILESCc1c(O)ccc(CC2CCNCC2)c1O
InChIInChI=1S/C13H19NO2/c1-9-12(15)3-2-11(13(9)16)8-10-4-6-14-7-5-10/h2-3,10,14-16H,4-8H2,1H3
InChIKeyWULIUZMKGTXBPQ-UHFFFAOYSA-N
XLogP1.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84790581
5-(piperidin-4-ylmethyl)quinolin-8-ol
CID 117358047
4-nitro-2-(piperidin-4-ylmethyl)phenol
CID 117344886
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol?
The IUPAC name of 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol (CID 84787993) is 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol is Cc1c(O)ccc(CC2CCNCC2)c1O.
What is the InChIKey of 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol?
The InChIKey is WULIUZMKGTXBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-12(15)3-2-11(13(9)16)8-10-4-6-14-7-5-10/h2-3,10,14-16H,4-8H2,1H3.
What are the key properties of 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol?
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol has a molecular weight of 221.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 84787993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).