4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol

C17H28N2O — CID 117443167

IUPAC4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol
SMILESCCC(C)(C)c1ccc(O)c(CCN2CCNCC2)c1
InChIInChI=1S/C17H28N2O/c1-4-17(2,3)15-5-6-16(20)14(13-15)7-10-19-11-8-18-9-12-19/h5-6,13,18,20H,4,7-12H2,1-3H3
InChIKeyNDFVBPDDADNOKF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.53
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol

4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol (PubChem CID 117443167) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol
PubChem CID117443167
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol
SMILESCCC(C)(C)c1ccc(O)c(CCN2CCNCC2)c1
InChIInChI=1S/C17H28N2O/c1-4-17(2,3)15-5-6-16(20)14(13-15)7-10-19-11-8-18-9-12-19/h5-6,13,18,20H,4,7-12H2,1-3H3
InChIKeyNDFVBPDDADNOKF-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-nonyl-2-(2-piperazin-1-ylethyl)phenol
CID 175375260
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
2-methoxy-4-(2-methyl-1-piperazin-1-ylpropan-2-yl)phenol
CID 116987599
4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol
CID 117470913
4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862690
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
1-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepane
CID 82090319
2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
CID 117320534
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol (CID 117443167) is 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol is CCC(C)(C)c1ccc(O)c(CCN2CCNCC2)c1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol?
The InChIKey is NDFVBPDDADNOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(2,3)15-5-6-16(20)14(13-15)7-10-19-11-8-18-9-12-19/h5-6,13,18,20H,4,7-12H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol?
4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol has a molecular weight of 276.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117443167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).