2-methyl-5-(piperazin-2-ylmethyl)phenol

C12H18N2O — CID 22342761

IUPAC2-methyl-5-(piperazin-2-ylmethyl)phenol
SMILESCc1ccc(CC2CNCCN2)cc1O
InChIInChI=1S/C12H18N2O/c1-9-2-3-10(7-12(9)15)6-11-8-13-4-5-14-11/h2-3,7,11,13-15H,4-6,8H2,1H3
InChIKeyITMIXCNHXLMEOW-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.80
Rot. Bonds2

About 2-methyl-5-(piperazin-2-ylmethyl)phenol

2-methyl-5-(piperazin-2-ylmethyl)phenol (PubChem CID 22342761) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-5-(piperazin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-methyl-5-(piperazin-2-ylmethyl)phenol
PubChem CID22342761
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-5-(piperazin-2-ylmethyl)phenol
SMILESCc1ccc(CC2CNCCN2)cc1O
InChIInChI=1S/C12H18N2O/c1-9-2-3-10(7-12(9)15)6-11-8-13-4-5-14-11/h2-3,7,11,13-15H,4-6,8H2,1H3
InChIKeyITMIXCNHXLMEOW-UHFFFAOYSA-N
XLogP0.80
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]piperazine
CID 82282920
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(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
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4-(1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl)aniline
CID 139968432
2-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol
CID 21338454
N-hydroxy-4-[[(2S)-piperazin-2-yl]methyl]benzeneamine oxide
CID 163157527
4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide
CID 68665120
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 116825316
2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine
CID 174905579
3-[[(2S)-piperazin-2-yl]methyl]benzoic acid
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9-benzyl-3-(piperazin-2-ylmethyl)carbazole
CID 175400244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperazin-2-ylmethyl)phenol?
The IUPAC name of 2-methyl-5-(piperazin-2-ylmethyl)phenol (CID 22342761) is 2-methyl-5-(piperazin-2-ylmethyl)phenol.
What is the SMILES notation for 2-methyl-5-(piperazin-2-ylmethyl)phenol?
The canonical SMILES for 2-methyl-5-(piperazin-2-ylmethyl)phenol is Cc1ccc(CC2CNCCN2)cc1O.
What is the InChIKey of 2-methyl-5-(piperazin-2-ylmethyl)phenol?
The InChIKey is ITMIXCNHXLMEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-2-3-10(7-12(9)15)6-11-8-13-4-5-14-11/h2-3,7,11,13-15H,4-6,8H2,1H3.
What are the key properties of 2-methyl-5-(piperazin-2-ylmethyl)phenol?
2-methyl-5-(piperazin-2-ylmethyl)phenol has a molecular weight of 206.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperazin-2-ylmethyl)phenol is sourced from PubChem (CID 22342761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).