2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

C17H28N2O — CID 78907234

IUPAC2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCc1cc(CN2CCN(CC(C)C)CC2)cc(C)c1O
InChIInChI=1S/C17H28N2O/c1-13(2)11-18-5-7-19(8-6-18)12-16-9-14(3)17(20)15(4)10-16/h9-10,13,20H,5-8,11-12H2,1-4H3
InChIKeyVGZGHHVNSPXOEP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds4

About 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (PubChem CID 78907234) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
PubChem CID78907234
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCc1cc(CN2CCN(CC(C)C)CC2)cc(C)c1O
InChIInChI=1S/C17H28N2O/c1-13(2)11-18-5-7-19(8-6-18)12-16-9-14(3)17(20)15(4)10-16/h9-10,13,20H,5-8,11-12H2,1-4H3
InChIKeyVGZGHHVNSPXOEP-UHFFFAOYSA-N
XLogP2.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tolterodine
CID 443879
2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
CID 66609
Bialamicol
CID 10304
LY 231617
CID 3968
Biallylamicol dihydrochlorde
CID 23616896
4-[[Bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
CID 612906
2-(diethylaminomethyl)-4-[(E)-4-[3-(diethylaminomethyl)-4-hydroxyphenyl]hex-3-en-3-yl]phenol
CID 5473838
4-Tert-butyl-2,6-bis((dimethylamino)methyl)phenol
CID 223214
2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol
CID 5512
2,6-Bis(1-methylethyl)-4-(4-morpholinylmethyl)phenol
CID 667589
2,6-Bis((bis(2-hydroxyethyl)amino)methyl)-4-nonylphenol
CID 88354

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (CID 78907234) is 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is Cc1cc(CN2CCN(CC(C)C)CC2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The InChIKey is VGZGHHVNSPXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)11-18-5-7-19(8-6-18)12-16-9-14(3)17(20)15(4)10-16/h9-10,13,20H,5-8,11-12H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 78907234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).