4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol

C18H30N2O — CID 170862690

IUPAC4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
SMILESCN1CCN(CCCc2cc(C(C)(C)C)ccc2O)CC1
InChIInChI=1S/C18H30N2O/c1-18(2,3)16-7-8-17(21)15(14-16)6-5-9-20-12-10-19(4)11-13-20/h7-8,14,21H,5-6,9-13H2,1-4H3
InChIKeyMEYVRKRKFKIPKT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.87
Rot. Bonds4

About 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol

4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol (PubChem CID 170862690) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
PubChem CID170862690
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
SMILESCN1CCN(CCCc2cc(C(C)(C)C)ccc2O)CC1
InChIInChI=1S/C18H30N2O/c1-18(2,3)16-7-8-17(21)15(14-16)6-5-9-20-12-10-19(4)11-13-20/h7-8,14,21H,5-6,9-13H2,1-4H3
InChIKeyMEYVRKRKFKIPKT-UHFFFAOYSA-N
XLogP2.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1098143
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
CID 170870620
4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol
CID 117443167
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862998
2-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonic acid
CID 170862354
2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862555
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol (CID 170862690) is 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol is CN1CCN(CCCc2cc(C(C)(C)C)ccc2O)CC1.
What is the InChIKey of 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The InChIKey is MEYVRKRKFKIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)16-7-8-17(21)15(14-16)6-5-9-20-12-10-19(4)11-13-20/h7-8,14,21H,5-6,9-13H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 170862690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).