2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol

C24H40N2O — CID 171287953

IUPAC2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol
SMILESCC(C)(C)c1cc([C@@H](C2CCCC2)N2CCNCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H40N2O/c1-23(2,3)18-15-19(22(27)20(16-18)24(4,5)6)21(17-9-7-8-10-17)26-13-11-25-12-14-26/h15-17,21,25,27H,7-14H2,1-6H3/t21-/m1/s1
InChIKeyWEQNYRNBVGVEFR-OAQYLSRUSA-N
MW372.60 g/mol
LogP5.12
Rot. Bonds3

About 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol

2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol (PubChem CID 171287953) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol
PubChem CID171287953
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol
SMILESCC(C)(C)c1cc([C@@H](C2CCCC2)N2CCNCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H40N2O/c1-23(2,3)18-15-19(22(27)20(16-18)24(4,5)6)21(17-9-7-8-10-17)26-13-11-25-12-14-26/h15-17,21,25,27H,7-14H2,1-6H3/t21-/m1/s1
InChIKeyWEQNYRNBVGVEFR-OAQYLSRUSA-N
XLogP5.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272270
2,6-ditert-butyl-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272272
2,4-ditert-butyl-6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171275342
2,4-ditert-butyl-6-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171179265
4-bromo-2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-(trifluoromethyl)phenol;dihydrochloride
CID 171301895
(3R)-3-(3,5-ditert-butyl-2-hydroxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306669
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4,6-diiodophenol;dihydrochloride
CID 171296536
2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171284821
2,4-ditert-butyl-6-[(1S)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171275319
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054
2-amino-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluorophenol
CID 171300852
2,4-ditert-butyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171308873

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol (CID 171287953) is 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol is CC(C)(C)c1cc([C@@H](C2CCCC2)N2CCNCC2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol?
The InChIKey is WEQNYRNBVGVEFR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H40N2O/c1-23(2,3)18-15-19(22(27)20(16-18)24(4,5)6)21(17-9-7-8-10-17)26-13-11-25-12-14-26/h15-17,21,25,27H,7-14H2,1-6H3/t21-/m1/s1.
What are the key properties of 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol?
2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol has a molecular weight of 372.60 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol is sourced from PubChem (CID 171287953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).